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

C17H16ClF3N2O2 — CID 109039562

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-12(10-13)22-8-7-16(24)23-15-9-11(17(19,20)21)5-6-14(15)18/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeyXVEZEBCNFKVWKK-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.81
Rot. Bonds6

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide (PubChem CID 109039562) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
PubChem CID109039562
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-12(10-13)22-8-7-16(24)23-15-9-11(17(19,20)21)5-6-14(15)18/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeyXVEZEBCNFKVWKK-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
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-(2-fluorophenyl)propanamide
CID 109037505
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide (CID 109039562) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide is COc1cccc(NCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide?
The InChIKey is XVEZEBCNFKVWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-12(10-13)22-8-7-16(24)23-15-9-11(17(19,20)21)5-6-14(15)18/h2-6,9-10,22H,7-8H2,1H3,(H,23,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide has a molecular weight of 372.77 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 109039562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).