N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H25ClN2O2 — CID 109145686

IUPACN-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-4-9-16(20)12-17(13)21-18(23)14-5-7-15(8-6-14)19(24)22-10-2-3-11-22/h4,9,12,14-15H,2-3,5-8,10-11H2,1H3,(H,21,23)
InChIKeyLVOSVFCKPCHAPO-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.02
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145686) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145686
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-4-9-16(20)12-17(13)21-18(23)14-5-7-15(8-6-14)19(24)22-10-2-3-11-22/h4,9,12,14-15H,2-3,5-8,10-11H2,1H3,(H,21,23)
InChIKeyLVOSVFCKPCHAPO-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145686) is N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is LVOSVFCKPCHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-13-4-9-16(20)12-17(13)21-18(23)14-5-7-15(8-6-14)19(24)22-10-2-3-11-22/h4,9,12,14-15H,2-3,5-8,10-11H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 4.02, 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)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).