N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide

C17H19BrN2O — CID 109007435

IUPACN-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-11-4-5-14(8-12(11)2)19-10-17(21)20-15-6-7-16(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyXOCVHQYQSFTHHV-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.42
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide (PubChem CID 109007435) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
PubChem CID109007435
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-11-4-5-14(8-12(11)2)19-10-17(21)20-15-6-7-16(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyXOCVHQYQSFTHHV-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-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide (CID 109007435) is N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide?
The InChIKey is XOCVHQYQSFTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-4-5-14(8-12(11)2)19-10-17(21)20-15-6-7-16(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)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 N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 109007435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).