N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide

C11H12ClNO — CID 70795609

IUPACN-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CC2)c1
InChIInChI=1S/C11H12ClNO/c1-7-2-5-9(12)10(6-7)13-11(14)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14)
InChIKeyOXNKUYHEOGXFQU-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide

N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide (PubChem CID 70795609) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
PubChem CID70795609
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CC2)c1
InChIInChI=1S/C11H12ClNO/c1-7-2-5-9(12)10(6-7)13-11(14)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14)
InChIKeyOXNKUYHEOGXFQU-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide (CID 70795609) is N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide is Cc1ccc(Cl)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide?
The InChIKey is OXNKUYHEOGXFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-2-5-9(12)10(6-7)13-11(14)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14).
What are the key properties of N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide?
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide has a molecular weight of 209.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 70795609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).