N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide

C16H13Cl2F3N2O — CID 109040864

IUPACN-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-3-6-13(18)14(9-11)23-15(24)7-8-22-12-4-1-10(2-5-12)16(19,20)21/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeyHZMJDNQLMAFTQD-UHFFFAOYSA-N
MW377.19 g/mol
LogP5.45
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide

N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide (PubChem CID 109040864) has the molecular formula C16H13Cl2F3N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
PubChem CID109040864
Molecular FormulaC16H13Cl2F3N2O
Molecular Weight377.19 g/mol
Exact Mass376.04
IUPAC NameN-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-3-6-13(18)14(9-11)23-15(24)7-8-22-12-4-1-10(2-5-12)16(19,20)21/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeyHZMJDNQLMAFTQD-UHFFFAOYSA-N
XLogP5.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.19
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042355
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide (CID 109040864) is N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide is O=C(CCNc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The InChIKey is HZMJDNQLMAFTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O/c17-11-3-6-13(18)14(9-11)23-15(24)7-8-22-12-4-1-10(2-5-12)16(19,20)21/h1-6,9,22H,7-8H2,(H,23,24).
What are the key properties of N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide has a molecular weight of 377.19 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109040864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).