2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide

C18H25ClN2O3 — CID 24554342

IUPAC2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCOC1CCCCC1
InChIInChI=1S/C18H25ClN2O3/c19-16-10-5-4-9-15(16)18(23)21-13-17(22)20-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,20,22)(H,21,23)
InChIKeyCBJUYNJXZNWGQW-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.93
Rot. Bonds8

About 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide

2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide (PubChem CID 24554342) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
PubChem CID24554342
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCOC1CCCCC1
InChIInChI=1S/C18H25ClN2O3/c19-16-10-5-4-9-15(16)18(23)21-13-17(22)20-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,20,22)(H,21,23)
InChIKeyCBJUYNJXZNWGQW-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29495039
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide (CID 24554342) is 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is CBJUYNJXZNWGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c19-16-10-5-4-9-15(16)18(23)21-13-17(22)20-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 352.86 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).