N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide

C25H23FN6O2 — CID 3755747

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C25H23FN6O2/c1-18-11-13-20(14-12-18)31(16-23(33)27-15-19-7-3-2-4-8-19)24(34)17-32-29-25(28-30-32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,33)
InChIKeyZPVYWKGLJITZIY-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.14
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide

N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 3755747) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID3755747
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C25H23FN6O2/c1-18-11-13-20(14-12-18)31(16-23(33)27-15-19-7-3-2-4-8-19)24(34)17-32-29-25(28-30-32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,33)
InChIKeyZPVYWKGLJITZIY-UHFFFAOYSA-N
XLogP3.14
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
(2S)-N-[(4-fluorophenyl)methyl]-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-thiophen-2-ylacetamide
CID 1144204
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1143930
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
(2S)-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 1144209
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144127
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (CID 3755747) is N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ZPVYWKGLJITZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-18-11-13-20(14-12-18)31(16-23(33)27-15-19-7-3-2-4-8-19)24(34)17-32-29-25(28-30-32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,33).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 458.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3755747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).