2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide

C17H19BrN2O — CID 9099453

IUPAC2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(NCC(=O)Nc2cccc(C)c2C)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-5-4-6-16(13(11)3)20-17(21)10-19-14-7-8-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyHHAKUXGONAUDAD-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide

2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9099453) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
PubChem CID9099453
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(NCC(=O)Nc2cccc(C)c2C)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-5-4-6-16(13(11)3)20-17(21)10-19-14-7-8-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyHHAKUXGONAUDAD-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide (CID 9099453) is 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide is Cc1cc(NCC(=O)Nc2cccc(C)c2C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is HHAKUXGONAUDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-5-4-6-16(13(11)3)20-17(21)10-19-14-7-8-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9099453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).