N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide

C18H19ClN2O2 — CID 42427435

IUPACN-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)14-7-5-9-16(11-14)21-18(23)13-6-4-8-15(19)10-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyLGLRAXWJRJOUNY-GFCCVEGCSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds5

About N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide

N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide (PubChem CID 42427435) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
PubChem CID42427435
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)14-7-5-9-16(11-14)21-18(23)13-6-4-8-15(19)10-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyLGLRAXWJRJOUNY-GFCCVEGCSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide (CID 42427435) is N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide is CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide?
The InChIKey is LGLRAXWJRJOUNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)14-7-5-9-16(11-14)21-18(23)13-6-4-8-15(19)10-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide?
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide is sourced from PubChem (CID 42427435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).