2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide

C16H23ClN2O2 — CID 153096273

IUPAC2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
SMILESCC(C)CNC(=O)CCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-12(2)11-19-15(20)9-5-6-10-18-16(21)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVQEDPGMTDRCVOG-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.01
Rot. Bonds8

About 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide

2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide (PubChem CID 153096273) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
PubChem CID153096273
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
SMILESCC(C)CNC(=O)CCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-12(2)11-19-15(20)9-5-6-10-18-16(21)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVQEDPGMTDRCVOG-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.01
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

2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 149456189
2-chloro-N-(3-methylbutyl)benzamide
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CID 3373978
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
4-[(2-chlorobenzoyl)amino]butanoate
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2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
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CID 110839352
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
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CID 51047598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide (CID 153096273) is 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide is CC(C)CNC(=O)CCCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The InChIKey is VQEDPGMTDRCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12(2)11-19-15(20)9-5-6-10-18-16(21)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide has a molecular weight of 310.82 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide is sourced from PubChem (CID 153096273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).