5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide

C15H14ClN3O2 — CID 104897291

IUPAC5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-12-7-6-10(8-11(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
InChIKeyDQNFTGWPDOFJEY-ZDUSSCGKSA-N
MW303.75 g/mol
LogP2.08
Rot. Bonds4

About 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide

5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide (PubChem CID 104897291) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
PubChem CID104897291
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-12-7-6-10(8-11(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
InChIKeyDQNFTGWPDOFJEY-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

4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897353
5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
CID 43706567
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The IUPAC name of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide (CID 104897291) is 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The canonical SMILES for 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide is NC(=O)c1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
The InChIKey is DQNFTGWPDOFJEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-7-6-10(8-11(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 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide?
5-[[(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 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 104897291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).