2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide

C19H12Cl2N2O2 — CID 1187146

IUPAC2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
SMILESCc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H12Cl2N2O2/c1-11-2-4-12(5-3-11)17-8-13(10-22)19(25-17)23-18(24)15-7-6-14(20)9-16(15)21/h2-9H,1H3,(H,23,24)
InChIKeyPDHLKQXCFQFEMM-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.69
Rot. Bonds3

About 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide

2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide (PubChem CID 1187146) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
PubChem CID1187146
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
SMILESCc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H12Cl2N2O2/c1-11-2-4-12(5-3-11)17-8-13(10-22)19(25-17)23-18(24)15-7-6-14(20)9-16(15)21/h2-9H,1H3,(H,23,24)
InChIKeyPDHLKQXCFQFEMM-UHFFFAOYSA-N
XLogP5.69
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
CID 23793096
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide
CID 2769219
4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide
CID 23850501
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
CID 2769252
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide (CID 1187146) is 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide is Cc1ccc(-c2cc(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide?
The InChIKey is PDHLKQXCFQFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c1-11-2-4-12(5-3-11)17-8-13(10-22)19(25-17)23-18(24)15-7-6-14(20)9-16(15)21/h2-9H,1H3,(H,23,24).
What are the key properties of 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide?
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide has a molecular weight of 371.22 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide is sourced from PubChem (CID 1187146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).