3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C14H19ClN2O2 — CID 54916209

IUPAC3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-7-17(10-13(18)16-2)14(19)12-6-4-5-11(8-12)9-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyWUDRSPQJHFSXJN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.02
Rot. Bonds6

About 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 54916209) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID54916209
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-7-17(10-13(18)16-2)14(19)12-6-4-5-11(8-12)9-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyWUDRSPQJHFSXJN-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide 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-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 76910215
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-chloro-N,N-dipropylbenzamide
CID 669182
2-[propyl-[3-(sulfamoylmethyl)benzoyl]amino]acetic acid
CID 119205518
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 54916209) is 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is WUDRSPQJHFSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-7-17(10-13(18)16-2)14(19)12-6-4-5-11(8-12)9-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 54916209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).