N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide

C19H13Cl2NO3 — CID 2892817

IUPACN-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C19H13Cl2NO3/c1-11(23)12-3-2-4-14(9-12)22-19(24)18-8-7-17(25-18)15-10-13(20)5-6-16(15)21/h2-10H,1H3,(H,22,24)
InChIKeyQYFYMDYBFMQQCC-UHFFFAOYSA-N
MW374.22 g/mol
LogP5.71
Rot. Bonds4

About N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide

N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 2892817) has the molecular formula C19H13Cl2NO3 and a molecular weight of 374.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID2892817
Molecular FormulaC19H13Cl2NO3
Molecular Weight374.22 g/mol
Exact Mass373.03
IUPAC NameN-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C19H13Cl2NO3/c1-11(23)12-3-2-4-14(9-12)22-19(24)18-8-7-17(25-18)15-10-13(20)5-6-16(15)21/h2-10H,1H3,(H,22,24)
InChIKeyQYFYMDYBFMQQCC-UHFFFAOYSA-N
XLogP5.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.22
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2002810
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 21170409
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3516344
5-(2,5-dichlorophenyl)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 5141690
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 2892817) is N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is QYFYMDYBFMQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3/c1-11(23)12-3-2-4-14(9-12)22-19(24)18-8-7-17(25-18)15-10-13(20)5-6-16(15)21/h2-10H,1H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 374.22 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2892817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).