N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide

C15H22ClN3O2 — CID 108574903

IUPACN-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)CCCCl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)13-7-5-12(6-8-13)15(21)18-11-10-17-14(20)4-3-9-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCWLNWBILWIXUBW-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.62
Rot. Bonds8

About N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide

N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide (PubChem CID 108574903) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
PubChem CID108574903
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)CCCCl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)13-7-5-12(6-8-13)15(21)18-11-10-17-14(20)4-3-9-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCWLNWBILWIXUBW-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide (CID 108574903) is N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCNC(=O)CCCCl)cc1.
What is the InChIKey of N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is CWLNWBILWIXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(2)13-7-5-12(6-8-13)15(21)18-11-10-17-14(20)4-3-9-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide?
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 311.81 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 108574903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).