5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide

C15H13ClF3NO2 — CID 1253325

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H13ClF3NO2/c1-8(2)20-14(21)13-6-5-12(22-13)9-3-4-11(16)10(7-9)15(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyIINKSJDBWCBUKJ-UHFFFAOYSA-N
MW331.72 g/mol
LogP4.76
Rot. Bonds3

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 1253325) has the molecular formula C15H13ClF3NO2 and a molecular weight of 331.72 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID1253325
Molecular FormulaC15H13ClF3NO2
Molecular Weight331.72 g/mol
Exact Mass331.06
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H13ClF3NO2/c1-8(2)20-14(21)13-6-5-12(22-13)9-3-4-11(16)10(7-9)15(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyIINKSJDBWCBUKJ-UHFFFAOYSA-N
XLogP4.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-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

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
1-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]-3-(4-methylphenyl)thiourea
CID 18871714
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 3600386
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
N-[(Z)-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 9074232
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17315310
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(Z)-2-nitroprop-1-enyl]furan
CID 70653843

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide (CID 1253325) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is IINKSJDBWCBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2/c1-8(2)20-14(21)13-6-5-12(22-13)9-3-4-11(16)10(7-9)15(17,18)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide?
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 331.72 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 1253325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).