2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C17H17BrN2O2 — CID 2184947

IUPAC2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXAKSNDSMNXALHE-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 2184947) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID2184947
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXAKSNDSMNXALHE-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476764
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 2184947) is 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is XAKSNDSMNXALHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 2184947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).