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

C14H18ClNO — CID 123821603

IUPACN-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18ClNO/c1-10-7-8-12(15)13(9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyPEWRQPZFKVFJKF-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.17
Rot. Bonds2

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

N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide (PubChem CID 123821603) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
PubChem CID123821603
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18ClNO/c1-10-7-8-12(15)13(9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyPEWRQPZFKVFJKF-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide (CID 123821603) is N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide is Cc1ccc(Cl)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide?
The InChIKey is PEWRQPZFKVFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-7-8-12(15)13(9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide?
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide has a molecular weight of 251.76 g/mol, XLogP of 4.17, 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)cyclohexanecarboxamide is sourced from PubChem (CID 123821603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).