N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide

C23H17ClF3NO3 — CID 71174092

IUPACN-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1)C1(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C23H17ClF3NO3/c24-15-3-1-2-13(10-15)17-6-5-16(12-18(17)23(25,26)27)28-21(31)22(8-9-22)14-4-7-19(29)20(30)11-14/h1-7,10-12,29-30H,8-9H2,(H,28,31)
InChIKeyLXJHSDDFJGFPCT-UHFFFAOYSA-N
MW447.84 g/mol
LogP6.11
Rot. Bonds4

About N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide

N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide (PubChem CID 71174092) has the molecular formula C23H17ClF3NO3 and a molecular weight of 447.84 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
PubChem CID71174092
Molecular FormulaC23H17ClF3NO3
Molecular Weight447.84 g/mol
Exact Mass447.08
IUPAC NameN-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1)C1(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C23H17ClF3NO3/c24-15-3-1-2-13(10-15)17-6-5-16(12-18(17)23(25,26)27)28-21(31)22(8-9-22)14-4-7-19(29)20(30)11-14/h1-7,10-12,29-30H,8-9H2,(H,28,31)
InChIKeyLXJHSDDFJGFPCT-UHFFFAOYSA-N
XLogP6.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.84
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydroxyphenyl)-N-[4-[4-(phosphanylmethyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71174126
N-[5-(3-chlorophenyl)-2-fluorophenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 71174100
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
3-[4-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylbenzamide
CID 71174360
N-[5-(2-chlorophenyl)-2-fluorophenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 71174408
1-(3-chlorophenyl)-N-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135151187
N-[4-tert-butyl-3-[4-(hydroxymethyl)phenyl]phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 71174364
1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206982
1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158797173
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(1,3-benzodioxol-5-yl)-N-[4-[2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206387
1-(3,4-dihydroxyphenyl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 71174082

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide (CID 71174092) is N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1)C1(c2ccc(O)c(O)c2)CC1.
What is the InChIKey of N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is LXJHSDDFJGFPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO3/c24-15-3-1-2-13(10-15)17-6-5-16(12-18(17)23(25,26)27)28-21(31)22(8-9-22)14-4-7-19(29)20(30)11-14/h1-7,10-12,29-30H,8-9H2,(H,28,31).
What are the key properties of N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide?
N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 447.84 g/mol, XLogP of 6.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).