3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C17H16ClF3N2O — CID 109038453

IUPAC3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O/c1-11-6-7-12(18)10-15(11)22-9-8-16(24)23-14-5-3-2-4-13(14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyUDNSXERJMSJBLE-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.11
Rot. Bonds5

About 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109038453) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109038453
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O/c1-11-6-7-12(18)10-15(11)22-9-8-16(24)23-14-5-3-2-4-13(14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyUDNSXERJMSJBLE-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109038453) is 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UDNSXERJMSJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-11-6-7-12(18)10-15(11)22-9-8-16(24)23-14-5-3-2-4-13(14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 356.78 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109038453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).