2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide

C12H17ClN2O — CID 89079838

IUPAC2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCC(NCl)C(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17ClN2O/c1-9(14-12(16)10(2)15-13)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyFRBHMRNZMQEBQW-RGURZIINSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds5

About 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide

2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide (PubChem CID 89079838) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
PubChem CID89079838
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCC(NCl)C(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17ClN2O/c1-9(14-12(16)10(2)15-13)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyFRBHMRNZMQEBQW-RGURZIINSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The IUPAC name of 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide (CID 89079838) is 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide.
What is the SMILES notation for 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The canonical SMILES for 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide is CC(NCl)C(=O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The InChIKey is FRBHMRNZMQEBQW-RGURZIINSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(14-12(16)10(2)15-13)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,14,16)/t9-,10?/m0/s1.
What are the key properties of 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide?
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide has a molecular weight of 240.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 89079838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).