N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide

C13H19ClN2O — CID 55186275

IUPACN-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H19ClN2O/c1-4-16(9-8-14)13(17)11-6-5-7-12(10-11)15(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyDASYIQGTVMBAJF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.45
Rot. Bonds5

About N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide

N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide (PubChem CID 55186275) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
PubChem CID55186275
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H19ClN2O/c1-4-16(9-8-14)13(17)11-6-5-7-12(10-11)15(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyDASYIQGTVMBAJF-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide (CID 55186275) is N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide is CCN(CCCl)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide?
The InChIKey is DASYIQGTVMBAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(9-8-14)13(17)11-6-5-7-12(10-11)15(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide?
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide is sourced from PubChem (CID 55186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).