(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide

C15H13ClN6O — CID 1131291

IUPAC(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H](Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C15H13ClN6O/c16-11-6-8-12(9-7-11)17-14(23)13(10-4-2-1-3-5-10)18-15-19-21-22-20-15/h1-9,13H,(H,17,23)(H2,18,19,20,21,22)/t13-/m0/s1
InChIKeyHEBBXSHENXXSNA-ZDUSSCGKSA-N
MW328.76 g/mol
LogP2.64
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide

(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide (PubChem CID 1131291) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide
PubChem CID1131291
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H](Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C15H13ClN6O/c16-11-6-8-12(9-7-11)17-14(23)13(10-4-2-1-3-5-10)18-15-19-21-22-20-15/h1-9,13H,(H,17,23)(H2,18,19,20,21,22)/t13-/m0/s1
InChIKeyHEBBXSHENXXSNA-ZDUSSCGKSA-N
XLogP2.64
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide
CID 154945979
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
CID 175630397
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
CID 175628645
2-phenyl-2-phenylsulfanylacetic acid;bis(2-phenyl-2-phenylsulfanyl-N-(2H-tetrazol-5-yl)acetamide)
CID 160889142
benzyl (2R)-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 6975658

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide (CID 1131291) is (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide is O=C(Nc1ccc(Cl)cc1)[C@@H](Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide?
The InChIKey is HEBBXSHENXXSNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-11-6-8-12(9-7-11)17-14(23)13(10-4-2-1-3-5-10)18-15-19-21-22-20-15/h1-9,13H,(H,17,23)(H2,18,19,20,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide?
(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide has a molecular weight of 328.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide is sourced from PubChem (CID 1131291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).