2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide

C12H15ClN2O2 — CID 134891697

IUPAC2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(=O)CCl
InChIInChI=1S/C12H15ClN2O2/c13-7-10(16)8-15-12(17)11(14)6-9-4-2-1-3-5-9/h1-5,11H,6-8,14H2,(H,15,17)
InChIKeyNZQGBUQUAYRTSC-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.48
Rot. Bonds6

About 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide

2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide (PubChem CID 134891697) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide
PubChem CID134891697
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(=O)CCl
InChIInChI=1S/C12H15ClN2O2/c13-7-10(16)8-15-12(17)11(14)6-9-4-2-1-3-5-9/h1-5,11H,6-8,14H2,(H,15,17)
InChIKeyNZQGBUQUAYRTSC-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-phenacyl-3-phenylpropanamide
CID 54565286
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119271418
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide (CID 134891697) is 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCC(=O)CCl.
What is the InChIKey of 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide?
The InChIKey is NZQGBUQUAYRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-7-10(16)8-15-12(17)11(14)6-9-4-2-1-3-5-9/h1-5,11H,6-8,14H2,(H,15,17).
What are the key properties of 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide?
2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide has a molecular weight of 254.72 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide is sourced from PubChem (CID 134891697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).