N-(5-chloropentyl)-3-(dimethylamino)benzamide

C14H21ClN2O — CID 107321118

IUPACN-(5-chloropentyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCCCCl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)13-8-6-7-12(11-13)14(18)16-10-5-3-4-9-15/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeySJRDXKRUUHDUMO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds7

About N-(5-chloropentyl)-3-(dimethylamino)benzamide

N-(5-chloropentyl)-3-(dimethylamino)benzamide (PubChem CID 107321118) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-(dimethylamino)benzamide
PubChem CID107321118
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(5-chloropentyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCCCCl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)13-8-6-7-12(11-13)14(18)16-10-5-3-4-9-15/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeySJRDXKRUUHDUMO-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
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3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
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3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(dimethylamino)-N-pent-3-ynylbenzamide
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N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(5-chloropentyl)-3-(dimethylamino)benzamide (CID 107321118) is N-(5-chloropentyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(5-chloropentyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(5-chloropentyl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-3-(dimethylamino)benzamide?
The InChIKey is SJRDXKRUUHDUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(2)13-8-6-7-12(11-13)14(18)16-10-5-3-4-9-15/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloropentyl)-3-(dimethylamino)benzamide?
N-(5-chloropentyl)-3-(dimethylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 107321118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).