N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide

C21H19ClN2O3 — CID 147370288

IUPACN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c22-16-11-10-14-8-4-5-9-15(14)18(16)21(27)24-17(19(25)20(23)26)12-13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,23,26)(H,24,27)
InChIKeyDIYSQCKWRFYGCI-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.68
Rot. Bonds6

About N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide (PubChem CID 147370288) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide
PubChem CID147370288
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide
SMILESNC(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c22-16-11-10-14-8-4-5-9-15(14)18(16)21(27)24-17(19(25)20(23)26)12-13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,23,26)(H,24,27)
InChIKeyDIYSQCKWRFYGCI-UHFFFAOYSA-N
XLogP2.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide 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

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321
N-[(2S)-4-amino-1-(3,5-dichlorophenyl)-3-hydroxy-4-oxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 134397844
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 70055276
3-[(2-chloroacetyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 12945691
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
2-(2-chloronaphthalen-1-yl)-2-hydroxyacetamide;hydrochloride
CID 158320932
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide (CID 147370288) is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide is NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(Cl)ccc2ccccc12.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide?
The InChIKey is DIYSQCKWRFYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-16-11-10-14-8-4-5-9-15(14)18(16)21(27)24-17(19(25)20(23)26)12-13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,23,26)(H,24,27).
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-chloronaphthalene-1-carboxamide is sourced from PubChem (CID 147370288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).