2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

C21H25ClN2O2 — CID 7700948

IUPAC2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCCC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-4-21(2,3)24-19(25)14-18(15-10-6-5-7-11-15)23-20(26)16-12-8-9-13-17(16)22/h5-13,18H,4,14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyARRNTGYNNVLBIG-GOSISDBHSA-N
MW372.90 g/mol
LogP4.51
Rot. Bonds7

About 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 7700948) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID7700948
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCCC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-4-21(2,3)24-19(25)14-18(15-10-6-5-7-11-15)23-20(26)16-12-8-9-13-17(16)22/h5-13,18H,4,14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyARRNTGYNNVLBIG-GOSISDBHSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
2-chloro-N-[(1S)-3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 7977492
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]-ethylamino]propanoic acid
CID 166224732
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (CID 7700948) is 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is CCC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is ARRNTGYNNVLBIG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-21(2,3)24-19(25)14-18(15-10-6-5-7-11-15)23-20(26)16-12-8-9-13-17(16)22/h5-13,18H,4,14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 7700948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).