N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide

C20H23ClN2O2 — CID 4806734

IUPACN-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-3-14(2)22-19(24)13-18(15-9-5-4-6-10-15)23-20(25)16-11-7-8-12-17(16)21/h4-12,14,18H,3,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKILYKFVYOLZGAD-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.12
Rot. Bonds7

About N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide

N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide (PubChem CID 4806734) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
PubChem CID4806734
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-3-14(2)22-19(24)13-18(15-9-5-4-6-10-15)23-20(25)16-11-7-8-12-17(16)21/h4-12,14,18H,3,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKILYKFVYOLZGAD-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 55723135
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
2-chloro-N-[(1S)-3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 7977492
2-chloro-N-[(1R)-3-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41134747
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]-ethylamino]propanoic acid
CID 166224732
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide (CID 4806734) is N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide is CCC(C)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The InChIKey is KILYKFVYOLZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-14(2)22-19(24)13-18(15-9-5-4-6-10-15)23-20(25)16-11-7-8-12-17(16)21/h4-12,14,18H,3,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide is sourced from PubChem (CID 4806734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).