N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide

C13H17ClN2O2 — CID 106234962

IUPACN-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
SMILESNC(=O)CCCCNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H17ClN2O2/c14-9-10-4-3-5-11(8-10)13(18)16-7-2-1-6-12(15)17/h3-5,8H,1-2,6-7,9H2,(H2,15,17)(H,16,18)
InChIKeyUPAMNTKBHOVZDU-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide

N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide (PubChem CID 106234962) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
PubChem CID106234962
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
SMILESNC(=O)CCCCNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H17ClN2O2/c14-9-10-4-3-5-11(8-10)13(18)16-7-2-1-6-12(15)17/h3-5,8H,1-2,6-7,9H2,(H2,15,17)(H,16,18)
InChIKeyUPAMNTKBHOVZDU-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172
3-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]benzoic acid
CID 106238853
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
CID 114615983
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
CID 143526103
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide (CID 106234962) is N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide is NC(=O)CCCCNC(=O)c1cccc(CCl)c1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide?
The InChIKey is UPAMNTKBHOVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-10-4-3-5-11(8-10)13(18)16-7-2-1-6-12(15)17/h3-5,8H,1-2,6-7,9H2,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide?
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide is sourced from PubChem (CID 106234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).