N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide

C18H19ClN2O2 — CID 17201202

IUPACN-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMADXEUMTBKLHBE-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds5

About N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide

N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide (PubChem CID 17201202) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
PubChem CID17201202
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMADXEUMTBKLHBE-UHFFFAOYSA-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-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17201182
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide (CID 17201202) is N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide is CCC(C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide?
The InChIKey is MADXEUMTBKLHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-12(2)20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide?
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide 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-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 17201202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).