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

C17H23ClN2O2 — CID 38335877

IUPAC2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCC1CCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-10-4-3-9-14(15)17(22)20-12-16(21)19-11-5-8-13-6-1-2-7-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,19,21)(H,20,22)
InChIKeyICNITHYZEVBUML-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.16
Rot. Bonds7

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

2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide (PubChem CID 38335877) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
PubChem CID38335877
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCC1CCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-10-4-3-9-14(15)17(22)20-12-16(21)19-11-5-8-13-6-1-2-7-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,19,21)(H,20,22)
InChIKeyICNITHYZEVBUML-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
N-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-3-nitrobenzamide
CID 46461541
2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide (CID 38335877) is 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCCC1CCCC1.
What is the InChIKey of 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is ICNITHYZEVBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-10-4-3-9-14(15)17(22)20-12-16(21)19-11-5-8-13-6-1-2-7-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 322.84 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 38335877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).