N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide

C25H17Cl3N2O4 — CID 17117616

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H17Cl3N2O4/c1-33-23-13-15(7-9-20(23)30-24(31)16-4-2-3-5-17(16)26)29-25(32)22-11-10-21(34-22)14-6-8-18(27)19(28)12-14/h2-13H,1H3,(H,29,32)(H,30,31)
InChIKeyKPMMETNOFIQBOF-UHFFFAOYSA-N
MW515.78 g/mol
LogP7.42
Rot. Bonds6

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 17117616) has the molecular formula C25H17Cl3N2O4 and a molecular weight of 515.78 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID17117616
Molecular FormulaC25H17Cl3N2O4
Molecular Weight515.78 g/mol
Exact Mass514.03
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H17Cl3N2O4/c1-33-23-13-15(7-9-20(23)30-24(31)16-4-2-3-5-17(16)26)29-25(32)22-11-10-21(34-22)14-6-8-18(27)19(28)12-14/h2-13H,1H3,(H,29,32)(H,30,31)
InChIKeyKPMMETNOFIQBOF-UHFFFAOYSA-N
XLogP7.42
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.78
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317117
N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17317119
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
CID 4234240
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
2-chloro-N-[2-methoxy-4-[(4-phenylbenzoyl)carbamothioylamino]phenyl]benzamide
CID 17115563
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
2,5-dichloro-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]benzamide
CID 17115543

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 17117616) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is KPMMETNOFIQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3N2O4/c1-33-23-13-15(7-9-20(23)30-24(31)16-4-2-3-5-17(16)26)29-25(32)22-11-10-21(34-22)14-6-8-18(27)19(28)12-14/h2-13H,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 515.78 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17117616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).