N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

C20H15ClF3NO2 — CID 3551441

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1C
InChIInChI=1S/C20H15ClF3NO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(27-17)19(26)25-16-10-14(20(22,23)24)5-6-15(16)21/h3-10H,1-2H3,(H,25,26)
InChIKeyZOTPSSOLXVDGDF-UHFFFAOYSA-N
MW393.79 g/mol
LogP6.49
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3551441) has the molecular formula C20H15ClF3NO2 and a molecular weight of 393.79 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID3551441
Molecular FormulaC20H15ClF3NO2
Molecular Weight393.79 g/mol
Exact Mass393.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1C
InChIInChI=1S/C20H15ClF3NO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(27-17)19(26)25-16-10-14(20(22,23)24)5-6-15(16)21/h3-10H,1-2H3,(H,25,26)
InChIKeyZOTPSSOLXVDGDF-UHFFFAOYSA-N
XLogP6.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.79
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3551441) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is ZOTPSSOLXVDGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(27-17)19(26)25-16-10-14(20(22,23)24)5-6-15(16)21/h3-10H,1-2H3,(H,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 393.79 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3551441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).