2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide

C16H14ClN5O2 — CID 71791497

IUPAC2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClN5O2/c1-24-14-5-3-2-4-11(14)10-18-16(23)15-19-21-22(20-15)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBBOWJHAVUDTSBW-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide

2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide (PubChem CID 71791497) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
PubChem CID71791497
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClN5O2/c1-24-14-5-3-2-4-11(14)10-18-16(23)15-19-21-22(20-15)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBBOWJHAVUDTSBW-UHFFFAOYSA-N
XLogP2.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
CID 71791372
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
1-(3,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155807302
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide (CID 71791497) is 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide is COc1ccccc1CNC(=O)c1nnn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide?
The InChIKey is BBOWJHAVUDTSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-24-14-5-3-2-4-11(14)10-18-16(23)15-19-21-22(20-15)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide?
2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).