2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide

C15H14BrClN2O — CID 9080359

IUPAC2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-5-6-14(13(17)7-10)19-15(20)9-18-12-4-2-3-11(16)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeySCDWQFRLMOIBFB-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.46
Rot. Bonds4

About 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide

2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 9080359) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID9080359
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-5-6-14(13(17)7-10)19-15(20)9-18-12-4-2-3-11(16)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeySCDWQFRLMOIBFB-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide (CID 9080359) is 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is SCDWQFRLMOIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-5-6-14(13(17)7-10)19-15(20)9-18-12-4-2-3-11(16)8-12/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide?
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 353.65 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 9080359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).