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

C19H16ClNO3 — CID 878115

IUPAC5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C19H16ClNO3/c1-12-7-8-13(11-14(12)20)16-9-10-18(24-16)19(22)21-15-5-3-4-6-17(15)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyFVEPRNYLPYLACQ-UHFFFAOYSA-N
MW341.79 g/mol
LogP5.17
Rot. Bonds4

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

5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 878115) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID878115
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C19H16ClNO3/c1-12-7-8-13(11-14(12)20)16-9-10-18(24-16)19(22)21-15-5-3-4-6-17(15)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyFVEPRNYLPYLACQ-UHFFFAOYSA-N
XLogP5.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.79
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 100828700
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-(2-amino-4-methoxyphenyl)-5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 91687544
5-(3-chloro-4-methylphenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 22780591
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-2-methylbenzoic acid
CID 22778933

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide (CID 878115) is 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is FVEPRNYLPYLACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-12-7-8-13(11-14(12)20)16-9-10-18(24-16)19(22)21-15-5-3-4-6-17(15)23-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide?
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 878115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).