N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea

C79H75ClN24O5 — CID 159511188

About N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea

N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea (PubChem CID 159511188) has the molecular formula C79H75ClN24O5 and a molecular weight of 1476.08 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea.

Molecular Properties

• Compound Name: N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea
• PubChem CID: 159511188
• Molecular Formula: C79H75ClN24O5
• Molecular Weight: 1476.08 g/mol
• Exact Mass: 1474.60
• IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea
• SMILES: CCC(Oc1ccc(-c2nnnn2C)cc1)c1ccccc1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)cc1.Cn1nnnc1-c1ccc(NC(=O)Nc2ccccc2)cc1.Cn1nnnc1-c1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C17H18N4O.C16H14ClN5O.C16H15N5O.C15H14N6O.C15H14N4O/c1-3-16(13-7-5-4-6-8-13)22-15-11-9-14(10-12-15)17-18-19-20-21(17)2;1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2;1-11-3-9-14(10-4-11)17-16(22)13-7-5-12(6-8-13)15-18-19-20-21(15)2;1-21-14(18-19-20-21)11-7-9-13(10-8-11)17-15(22)16-12-5-3-2-4-6-12;1-19-15(16-17-18-19)13-7-9-14(10-8-13)20-11-12-5-3-2-4-6-12/h4-12,16H,3H2,1-2H3;3-9H,1-2H3,(H,18,23);3-10H,1-2H3,(H,17,22);2-10H,1H3,(H2,16,17,22);2-10H,11H2,1H3
• InChIKey: MAPWUESJGMWFKH-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 335.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.08
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea?

The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea (CID 159511188) is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea.

What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea?

The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea is CCC(Oc1ccc(-c2nnnn2C)cc1)c1ccccc1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)cc1.Cn1nnnc1-c1ccc(NC(=O)Nc2ccccc2)cc1.Cn1nnnc1-c1ccc(OCc2ccccc2)cc1.

What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea?

The InChIKey is MAPWUESJGMWFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C16H14ClN5O.C16H15N5O.C15H14N6O.C15H14N4O/c1-3-16(13-7-5-4-6-8-13)22-15-11-9-14(10-12-15)17-18-19-20-21(17)2;1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2;1-11-3-9-14(10-4-11)17-16(22)13-7-5-12(6-8-13)15-18-19-20-21(15)2;1-21-14(18-19-20-21)11-7-9-13(10-8-11)17-15(22)16-12-5-3-2-4-6-12;1-19-15(16-17-18-19)13-7-9-14(10-8-13)20-11-12-5-3-2-4-6-12/h4-12,16H,3H2,1-2H3;3-9H,1-2H3,(H,18,23);3-10H,1-2H3,(H,17,22);2-10H,1H3,(H2,16,17,22);2-10H,11H2,1H3.

What are the key properties of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea?

N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea has a molecular weight of 1476.08 g/mol, XLogP of 13.91, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 159511188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).