N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide

C16H13ClF4N2O — CID 109037746

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF4N2O/c17-13-6-1-10(16(19,20)21)9-14(13)23-15(24)7-8-22-12-4-2-11(18)3-5-12/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeyQJPPEMONUBNDBK-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.94
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide (PubChem CID 109037746) has the molecular formula C16H13ClF4N2O and a molecular weight of 360.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
PubChem CID109037746
Molecular FormulaC16H13ClF4N2O
Molecular Weight360.74 g/mol
Exact Mass360.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF4N2O/c17-13-6-1-10(16(19,20)21)9-14(13)23-15(24)7-8-22-12-4-2-11(18)3-5-12/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeyQJPPEMONUBNDBK-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

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide (CID 109037746) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide is O=C(CCNc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide?
The InChIKey is QJPPEMONUBNDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O/c17-13-6-1-10(16(19,20)21)9-14(13)23-15(24)7-8-22-12-4-2-11(18)3-5-12/h1-6,9,22H,7-8H2,(H,23,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-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-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide is sourced from PubChem (CID 109037746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).