N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide

C19H16ClNO2 — CID 4031207

IUPACN-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H16ClNO2/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16/h3-11H,1-2H3,(H,21,22)
InChIKeyXSFNILCBRXPHEZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP5.47
Rot. Bonds3

About N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide

N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 4031207) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID4031207
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC NameN-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H16ClNO2/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16/h3-11H,1-2H3,(H,21,22)
InChIKeyXSFNILCBRXPHEZ-UHFFFAOYSA-N
XLogP5.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 4031207) is N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is XSFNILCBRXPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4031207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).