N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H17ClF3NO3 — CID 50882495

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C25H17ClF3NO3/c26-18-9-10-20(19(14-18)23(31)15-5-2-1-3-6-15)30-24(32)22-12-11-21(33-22)16-7-4-8-17(13-16)25(27,28)29/h1-14,23,31H,(H,30,32)
InChIKeyXWCHEOGNJQPMPW-UHFFFAOYSA-N
MW471.86 g/mol
LogP6.95
Rot. Bonds5

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 50882495) has the molecular formula C25H17ClF3NO3 and a molecular weight of 471.86 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID50882495
Molecular FormulaC25H17ClF3NO3
Molecular Weight471.86 g/mol
Exact Mass471.08
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C25H17ClF3NO3/c26-18-9-10-20(19(14-18)23(31)15-5-2-1-3-6-15)30-24(32)22-12-11-21(33-22)16-7-4-8-17(13-16)25(27,28)29/h1-14,23,31H,(H,30,32)
InChIKeyXWCHEOGNJQPMPW-UHFFFAOYSA-N
XLogP6.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 95733498
5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882533
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 50882495) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XWCHEOGNJQPMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3NO3/c26-18-9-10-20(19(14-18)23(31)15-5-2-1-3-6-15)30-24(32)22-12-11-21(33-22)16-7-4-8-17(13-16)25(27,28)29/h1-14,23,31H,(H,30,32).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 471.86 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 50882495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).