4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide

C15H14ClN3O2 — CID 104897353

IUPAC4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-12-8-10(6-7-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyOFIYAOLQZWFKIJ-ZDUSSCGKSA-N
MW303.75 g/mol
LogP2.08
Rot. Bonds4

About 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide

4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide (PubChem CID 104897353) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
PubChem CID104897353
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-12-8-10(6-7-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyOFIYAOLQZWFKIJ-ZDUSSCGKSA-N
XLogP2.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
CID 43706567
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The IUPAC name of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide (CID 104897353) is 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide is NC(=O)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1Cl.
What is the InChIKey of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The InChIKey is OFIYAOLQZWFKIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-8-10(6-7-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide has a molecular weight of 303.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 104897353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).