N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide

C13H12ClNO2 — CID 110690693

IUPACN-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccco1
InChIInChI=1S/C13H12ClNO2/c1-9-11(14)5-2-6-12(9)15-13(16)8-10-4-3-7-17-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUHRIWXHBAOCWPO-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.42
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide (PubChem CID 110690693) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
PubChem CID110690693
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccco1
InChIInChI=1S/C13H12ClNO2/c1-9-11(14)5-2-6-12(9)15-13(16)8-10-4-3-7-17-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUHRIWXHBAOCWPO-UHFFFAOYSA-N
XLogP3.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
1-(3-chloro-2-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826690
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737
N-(3-chloro-2-methylphenyl)-2-isocyanoacetamide
CID 108814646
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide (CID 110690693) is N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1ccco1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide?
The InChIKey is UHRIWXHBAOCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-11(14)5-2-6-12(9)15-13(16)8-10-4-3-7-17-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 3.42, 3 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-(furan-2-yl)acetamide is sourced from PubChem (CID 110690693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).