N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide

C15H12ClF3N2O3 — CID 4846310

IUPACN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c16-11-4-3-9(8-10(11)15(17,18)19)21-13(22)5-6-20-14(23)12-2-1-7-24-12/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22)
InChIKeyPHAVGDSMRCBYHI-UHFFFAOYSA-N
MW360.72 g/mol
LogP3.71
Rot. Bonds5

About N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 4846310) has the molecular formula C15H12ClF3N2O3 and a molecular weight of 360.72 g/mol. Its IUPAC name is N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID4846310
Molecular FormulaC15H12ClF3N2O3
Molecular Weight360.72 g/mol
Exact Mass360.05
IUPAC NameN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c16-11-4-3-9(8-10(11)15(17,18)19)21-13(22)5-6-20-14(23)12-2-1-7-24-12/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22)
InChIKeyPHAVGDSMRCBYHI-UHFFFAOYSA-N
XLogP3.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-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

N-(4-chlorophenyl)furan-2-carboxamide
CID 790315
ML348
CID 3238952
N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 764191
N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 306227
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247
N-[4-chloro-2-(1-piperidinylcarbonyl)phenyl]-2-furamide
CID 891930
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1252875
N-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2236865
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide
CID 2446512
N-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]furan-2-carboxamide
CID 2455905
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide (CID 4846310) is N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PHAVGDSMRCBYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3/c16-11-4-3-9(8-10(11)15(17,18)19)21-13(22)5-6-20-14(23)12-2-1-7-24-12/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 360.72 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4846310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).