N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C18H12Cl3NO2 — CID 1321696

IUPACN-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl
InChIInChI=1S/C18H12Cl3NO2/c1-10-2-4-12(9-14(10)20)22-18(23)17-7-6-16(24-17)13-5-3-11(19)8-15(13)21/h2-9H,1H3,(H,22,23)
InChIKeyYCZCGMUVURJDRB-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.47
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 1321696) has the molecular formula C18H12Cl3NO2 and a molecular weight of 380.66 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID1321696
Molecular FormulaC18H12Cl3NO2
Molecular Weight380.66 g/mol
Exact Mass378.99
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl
InChIInChI=1S/C18H12Cl3NO2/c1-10-2-4-12(9-14(10)20)22-18(23)17-7-6-16(24-17)13-5-3-11(19)8-15(13)21/h2-9H,1H3,(H,22,23)
InChIKeyYCZCGMUVURJDRB-UHFFFAOYSA-N
XLogP6.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
CID 5262514
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 39380610
N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17318351
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,4-dichlorophenyl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 135609226

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 1321696) is N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is YCZCGMUVURJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NO2/c1-10-2-4-12(9-14(10)20)22-18(23)17-7-6-16(24-17)13-5-3-11(19)8-15(13)21/h2-9H,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 380.66 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1321696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).