N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide

C17H24ClN3O2 — CID 23761302

IUPACN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCCCC1NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-2-16(22)20-14-9-5-6-10-15(14)21-17(23)19-11-12-7-3-4-8-13(12)18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyIUKXCDQAYKZIKZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide

N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide (PubChem CID 23761302) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
PubChem CID23761302
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCCCC1NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-2-16(22)20-14-9-5-6-10-15(14)21-17(23)19-11-12-7-3-4-8-13(12)18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyIUKXCDQAYKZIKZ-UHFFFAOYSA-N
XLogP2.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide
CID 23826641
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
CID 80662926
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
1-[(2-chlorophenyl)methyl]-3-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 22266289
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide (CID 23761302) is N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide is CCC(=O)NC1CCCCC1NC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide?
The InChIKey is IUKXCDQAYKZIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-16(22)20-14-9-5-6-10-15(14)21-17(23)19-11-12-7-3-4-8-13(12)18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide?
N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide is sourced from PubChem (CID 23761302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).