N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide

C17H16ClF3N2O — CID 109034313

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-11-3-2-4-13(9-11)22-8-7-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeyZUYRKNSLTZIBMU-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.11
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide (PubChem CID 109034313) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
PubChem CID109034313
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-11-3-2-4-13(9-11)22-8-7-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeyZUYRKNSLTZIBMU-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

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
CID 109042579
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide (CID 109034313) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide is Cc1cccc(NCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide?
The InChIKey is ZUYRKNSLTZIBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-11-3-2-4-13(9-11)22-8-7-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)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 N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109034313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).