2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide

C17H16BrClN2O2 — CID 53245483

IUPAC2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-2-5-15(22)20-11-6-3-7-12(10-11)21-17(23)16-13(18)8-4-9-14(16)19/h3-4,6-10H,2,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyGDVAWBZTUFFZRQ-UHFFFAOYSA-N
MW395.68 g/mol
LogP5.09
Rot. Bonds5

About 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide

2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide (PubChem CID 53245483) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
PubChem CID53245483
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-2-5-15(22)20-11-6-3-7-12(10-11)21-17(23)16-13(18)8-4-9-14(16)19/h3-4,6-10H,2,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyGDVAWBZTUFFZRQ-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.68
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
CID 53245435
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778393
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide?
The IUPAC name of 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide (CID 53245483) is 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide is CCCC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide?
The InChIKey is GDVAWBZTUFFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-2-5-15(22)20-11-6-3-7-12(10-11)21-17(23)16-13(18)8-4-9-14(16)19/h3-4,6-10H,2,5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide?
2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide has a molecular weight of 395.68 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide is sourced from PubChem (CID 53245483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).