N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide

C17H16ClF3N2O — CID 109038512

IUPACN-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16ClF3N2O/c1-11-10-13(18)4-7-15(11)23-16(24)8-9-22-14-5-2-12(3-6-14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyVRPAKSCTEGRBFF-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.11
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide

N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide (PubChem CID 109038512) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
PubChem CID109038512
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16ClF3N2O/c1-11-10-13(18)4-7-15(11)23-16(24)8-9-22-14-5-2-12(3-6-14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyVRPAKSCTEGRBFF-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-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
N-(4-chloro-2-methylphenyl)-4-(4-nitroanilino)butanamide
CID 36664825

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide (CID 109038512) is N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide is Cc1cc(Cl)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The InChIKey is VRPAKSCTEGRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-11-10-13(18)4-7-15(11)23-16(24)8-9-22-14-5-2-12(3-6-14)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]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-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109038512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).