3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide

C16H13ClF4N2O — CID 109041600

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C16H13ClF4N2O/c17-13-5-4-10(16(19,20)21)8-14(13)22-7-6-15(24)23-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyNTEGTSCQRWNDSQ-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.94
Rot. Bonds5

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide (PubChem CID 109041600) has the molecular formula C16H13ClF4N2O and a molecular weight of 360.74 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
PubChem CID109041600
Molecular FormulaC16H13ClF4N2O
Molecular Weight360.74 g/mol
Exact Mass360.07
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C16H13ClF4N2O/c17-13-5-4-10(16(19,20)21)8-14(13)22-7-6-15(24)23-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyNTEGTSCQRWNDSQ-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
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide (CID 109041600) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide is O=C(CCNc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(F)c1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide?
The InChIKey is NTEGTSCQRWNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O/c17-13-5-4-10(16(19,20)21)8-14(13)22-7-6-15(24)23-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,23,24).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)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 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 109041600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).