N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide

C18H14ClNO2 — CID 168527887

IUPACN-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C18H14ClNO2/c1-12-7-8-15(19)11-16(12)20-18(21)14-5-2-4-13(10-14)17-6-3-9-22-17/h2-11H,1H3,(H,20,21)
InChIKeyNVLQTVIQWYXCCO-UHFFFAOYSA-N
MW311.77 g/mol
LogP5.16
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide

N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide (PubChem CID 168527887) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
PubChem CID168527887
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C18H14ClNO2/c1-12-7-8-15(19)11-16(12)20-18(21)14-5-2-4-13(10-14)17-6-3-9-22-17/h2-11H,1H3,(H,20,21)
InChIKeyNVLQTVIQWYXCCO-UHFFFAOYSA-N
XLogP5.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.77
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 122516199
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
CID 108868402
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-butyl-3-(furan-2-yl)benzamide;propane
CID 159057604
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide (CID 168527887) is N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(-c2ccco2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide?
The InChIKey is NVLQTVIQWYXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12-7-8-15(19)11-16(12)20-18(21)14-5-2-4-13(10-14)17-6-3-9-22-17/h2-11H,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide?
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide has a molecular weight of 311.77 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide is sourced from PubChem (CID 168527887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).