3-(4-bromoanilino)-N-(3-methylphenyl)propanamide

C16H17BrN2O — CID 109034162

IUPAC3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O/c1-12-3-2-4-15(11-12)19-16(20)9-10-18-14-7-5-13(17)6-8-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyXEYDWPCBSDSIEG-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide

3-(4-bromoanilino)-N-(3-methylphenyl)propanamide (PubChem CID 109034162) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
PubChem CID109034162
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O/c1-12-3-2-4-15(11-12)19-16(20)9-10-18-14-7-5-13(17)6-8-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyXEYDWPCBSDSIEG-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide (CID 109034162) is 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is XEYDWPCBSDSIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-3-2-4-15(11-12)19-16(20)9-10-18-14-7-5-13(17)6-8-14/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide?
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 333.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109034162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).