2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide

C19H13ClN2O3 — CID 23793096

IUPAC2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
SMILESCOc1ccc(-c2cc(C#N)c(NC(=O)c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H13ClN2O3/c1-24-14-8-6-12(7-9-14)17-10-13(11-21)19(25-17)22-18(23)15-4-2-3-5-16(15)20/h2-10H,1H3,(H,22,23)
InChIKeyMGZPQRVZRMZREA-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.73
Rot. Bonds4

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

2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide (PubChem CID 23793096) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
PubChem CID23793096
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
SMILESCOc1ccc(-c2cc(C#N)c(NC(=O)c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H13ClN2O3/c1-24-14-8-6-12(7-9-14)17-10-13(11-21)19(25-17)22-18(23)15-4-2-3-5-16(15)20/h2-10H,1H3,(H,22,23)
InChIKeyMGZPQRVZRMZREA-UHFFFAOYSA-N
XLogP4.73
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 23880421
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
CID 1187146
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide
CID 23875629
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-3,4,5-trimethoxybenzamide
CID 23876209
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
CID 139676098
2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 3512132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide (CID 23793096) is 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide is COc1ccc(-c2cc(C#N)c(NC(=O)c3ccccc3Cl)o2)cc1.
What is the InChIKey of 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide?
The InChIKey is MGZPQRVZRMZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c1-24-14-8-6-12(7-9-14)17-10-13(11-21)19(25-17)22-18(23)15-4-2-3-5-16(15)20/h2-10H,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide?
2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide has a molecular weight of 352.78 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide is sourced from PubChem (CID 23793096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).