2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide

C15H14BrClN2O — CID 107583061

IUPAC2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
SMILESCc1cc(Br)cc(NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-5-11(16)7-14(6-10)18-9-15(20)19-13-4-2-3-12(17)8-13/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHAWKYIJZWPVZCG-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.46
Rot. Bonds4

About 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide

2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide (PubChem CID 107583061) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
PubChem CID107583061
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
SMILESCc1cc(Br)cc(NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-5-11(16)7-14(6-10)18-9-15(20)19-13-4-2-3-12(17)8-13/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHAWKYIJZWPVZCG-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-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide (CID 107583061) is 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide is Cc1cc(Br)cc(NCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide?
The InChIKey is HAWKYIJZWPVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-5-11(16)7-14(6-10)18-9-15(20)19-13-4-2-3-12(17)8-13/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide?
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)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-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 107583061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).