2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide

C27H20Cl2N2O4 — CID 4234240

IUPAC2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C27H20Cl2N2O4/c1-34-25-16-19(10-13-23(25)31-27(33)21-4-2-3-5-22(21)29)30-26(32)15-12-20-11-14-24(35-20)17-6-8-18(28)9-7-17/h2-16H,1H3,(H,30,32)(H,31,33)
InChIKeyQOUOQSOSZLLRNW-UHFFFAOYSA-N
MW507.37 g/mol
LogP7.17
Rot. Bonds7

About 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide

2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide (PubChem CID 4234240) has the molecular formula C27H20Cl2N2O4 and a molecular weight of 507.37 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
PubChem CID4234240
Molecular FormulaC27H20Cl2N2O4
Molecular Weight507.37 g/mol
Exact Mass506.08
IUPAC Name2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C27H20Cl2N2O4/c1-34-25-16-19(10-13-23(25)31-27(33)21-4-2-3-5-22(21)29)30-26(32)15-12-20-11-14-24(35-20)17-6-8-18(28)9-7-17/h2-16H,1H3,(H,30,32)(H,31,33)
InChIKeyQOUOQSOSZLLRNW-UHFFFAOYSA-N
XLogP7.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 4312319
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4660294
2-chloro-N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxyphenyl]benzamide
CID 17117613
2-chloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17117694
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17117615
N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 5213145
N-[4-[[(E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117642
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317117
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]prop-2-enamide
CID 28678367
(E)-N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17336300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide (CID 4234240) is 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide is COc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide?
The InChIKey is QOUOQSOSZLLRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O4/c1-34-25-16-19(10-13-23(25)31-27(33)21-4-2-3-5-22(21)29)30-26(32)15-12-20-11-14-24(35-20)17-6-8-18(28)9-7-17/h2-16H,1H3,(H,30,32)(H,31,33).
What are the key properties of 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide?
2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide has a molecular weight of 507.37 g/mol, XLogP of 7.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 4234240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).