N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide

C13H16ClNO2 — CID 63394478

IUPACN-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCl)C2CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-17-12-4-2-3-10(9-12)13(16)15(8-7-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3
InChIKeyWCSPYFZXMORRRT-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.54
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide

N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide (PubChem CID 63394478) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
PubChem CID63394478
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCl)C2CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-17-12-4-2-3-10(9-12)13(16)15(8-7-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3
InChIKeyWCSPYFZXMORRRT-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.54
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-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methoxybenzamide
CID 102872904
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide (CID 63394478) is N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide is COc1cccc(C(=O)N(CCCl)C2CC2)c1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is WCSPYFZXMORRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-4-2-3-10(9-12)13(16)15(8-7-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide?
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 63394478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).