2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H14BrF3N2O — CID 109009815

IUPAC2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF3N2O/c1-10-8-13(6-7-14(10)17)21-9-15(23)22-12-4-2-11(3-5-12)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyHADRKCMBEQBECT-UHFFFAOYSA-N
MW387.20 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 109009815) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID109009815
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC Name2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF3N2O/c1-10-8-13(6-7-14(10)17)21-9-15(23)22-12-4-2-11(3-5-12)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyHADRKCMBEQBECT-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
methyl 3-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 36586938
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
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-(2,3-dimethylphenyl)acetamide
CID 9099453

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 109009815) is 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HADRKCMBEQBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c1-10-8-13(6-7-14(10)17)21-9-15(23)22-12-4-2-11(3-5-12)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 387.20 g/mol, XLogP of 4.83, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109009815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).