N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide

C13H12ClNO2 — CID 705603

IUPACN-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNO2/c1-8-11(14)4-3-5-12(8)15-13(16)10-6-7-17-9(10)2/h3-7H,1-2H3,(H,15,16)
InChIKeyYHODFLYTYDJKNC-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.80
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide

N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide (PubChem CID 705603) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide
PubChem CID705603
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNO2/c1-8-11(14)4-3-5-12(8)15-13(16)10-6-7-17-9(10)2/h3-7H,1-2H3,(H,15,16)
InChIKeyYHODFLYTYDJKNC-UHFFFAOYSA-N
XLogP3.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 34313
Fenfuram
CID 90590
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CID 34281
N-(2,6-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 897861
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 2932860
N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 764191
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 738837
3-{3-[(2-Methyl-3-furoyl)amino]phenyl}acrylic acid
CID 777625
N-(5-chloro-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 844961
N-(2-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 887895

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide (CID 705603) is N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is YHODFLYTYDJKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-11(14)4-3-5-12(8)15-13(16)10-6-7-17-9(10)2/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide?
N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 705603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).