N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide

C18H13Cl2NO2 — CID 4873369

IUPACN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-15(11)21-18(22)17-9-8-16(23-17)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22)
InChIKeyBXDHXXWEBAVBBD-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.81
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 4873369) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID4873369
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-15(11)21-18(22)17-9-8-16(23-17)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22)
InChIKeyBXDHXXWEBAVBBD-UHFFFAOYSA-N
XLogP5.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 17092473
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
1-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 18871754
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 43029737
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide (CID 4873369) is N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is BXDHXXWEBAVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-15(11)21-18(22)17-9-8-16(23-17)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 346.21 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 4873369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).