2-bromo-N-[3-(butylamino)phenyl]benzamide

C17H19BrN2O — CID 51003683

IUPAC2-bromo-N-[3-(butylamino)phenyl]benzamide
SMILESCCCCNc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-2-3-11-19-13-7-6-8-14(12-13)20-17(21)15-9-4-5-10-16(15)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyGSHBQNVGNFDHND-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.91
Rot. Bonds6

About 2-bromo-N-[3-(butylamino)phenyl]benzamide

2-bromo-N-[3-(butylamino)phenyl]benzamide (PubChem CID 51003683) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-N-[3-(butylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(butylamino)phenyl]benzamide
PubChem CID51003683
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-N-[3-(butylamino)phenyl]benzamide
SMILESCCCCNc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-2-3-11-19-13-7-6-8-14(12-13)20-17(21)15-9-4-5-10-16(15)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyGSHBQNVGNFDHND-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
Benzamide, N-(3-bromophenyl)-
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2-bromo-N-(3-butyramidophenyl)benzamide
CID 1048267
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
Benzamide, N-(4-bromophenyl)-
CID 101357
4'-Bromo-4-methylbenzanilide
CID 531830
2-Bromo-N-M-tolyl-benzamide
CID 532187
Benzamide, N-(3-aminophenyl)-
CID 72896
3-[(4-bromobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664133
Benzamide, N-(2-bromophenyl)-
CID 101311
N-(4-Bromophenyl)-2-iodobenzamide
CID 1548580
N-(3-bromophenyl)-3-fluorobenzamide
CID 3532749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(butylamino)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(butylamino)phenyl]benzamide (CID 51003683) is 2-bromo-N-[3-(butylamino)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(butylamino)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(butylamino)phenyl]benzamide is CCCCNc1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(butylamino)phenyl]benzamide?
The InChIKey is GSHBQNVGNFDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-3-11-19-13-7-6-8-14(12-13)20-17(21)15-9-4-5-10-16(15)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[3-(butylamino)phenyl]benzamide?
2-bromo-N-[3-(butylamino)phenyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(butylamino)phenyl]benzamide is sourced from PubChem (CID 51003683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).