5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide

C27H17Cl2NO5 — CID 17117762

IUPAC5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C27H17Cl2NO5/c1-33-24-14-16(9-10-17(24)19-13-15-5-2-3-8-21(15)35-27(19)32)30-26(31)23-12-11-22(34-23)18-6-4-7-20(28)25(18)29/h2-14H,1H3,(H,30,31)
InChIKeyIWWRUMPYEYMLMD-UHFFFAOYSA-N
MW506.34 g/mol
LogP7.29
Rot. Bonds5

About 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide (PubChem CID 17117762) has the molecular formula C27H17Cl2NO5 and a molecular weight of 506.34 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
PubChem CID17117762
Molecular FormulaC27H17Cl2NO5
Molecular Weight506.34 g/mol
Exact Mass505.05
IUPAC Name5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C27H17Cl2NO5/c1-33-24-14-16(9-10-17(24)19-13-15-5-2-3-8-21(15)35-27(19)32)30-26(31)23-12-11-22(34-23)18-6-4-7-20(28)25(18)29/h2-14H,1H3,(H,30,31)
InChIKeyIWWRUMPYEYMLMD-UHFFFAOYSA-N
XLogP7.29
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.34
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
CID 26020802
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675598
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5094011

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide (CID 17117762) is 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is IWWRUMPYEYMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2NO5/c1-33-24-14-16(9-10-17(24)19-13-15-5-2-3-8-21(15)35-27(19)32)30-26(31)23-12-11-22(34-23)18-6-4-7-20(28)25(18)29/h2-14H,1H3,(H,30,31).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 506.34 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17117762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).