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

C16H13ClF4N2O — CID 109042072

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
SMILESO=C(CCNc1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF4N2O/c17-10-4-5-14(13(8-10)16(19,20)21)23-15(24)6-7-22-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyCKAGESPAMOSOBD-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.94
Rot. Bonds5

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide (PubChem CID 109042072) has the molecular formula C16H13ClF4N2O and a molecular weight of 360.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
PubChem CID109042072
Molecular FormulaC16H13ClF4N2O
Molecular Weight360.74 g/mol
Exact Mass360.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
SMILESO=C(CCNc1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF4N2O/c17-10-4-5-14(13(8-10)16(19,20)21)23-15(24)6-7-22-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyCKAGESPAMOSOBD-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
CID 109042579
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide (CID 109042072) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide is O=C(CCNc1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide?
The InChIKey is CKAGESPAMOSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O/c17-10-4-5-14(13(8-10)16(19,20)21)23-15(24)6-7-22-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide has a molecular weight of 360.74 g/mol, XLogP of 4.94, 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-fluoroanilino)propanamide is sourced from PubChem (CID 109042072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).