N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide

C15H20ClNO2 — CID 63394289

IUPACN-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCCl)C2CC2)cc1
InChIInChI=1S/C15H20ClNO2/c1-11(2)19-14-7-3-12(4-8-14)15(18)17(10-9-16)13-5-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyGEKGWNKAPJGZKE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.32
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide

N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide (PubChem CID 63394289) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
PubChem CID63394289
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCCl)C2CC2)cc1
InChIInChI=1S/C15H20ClNO2/c1-11(2)19-14-7-3-12(4-8-14)15(18)17(10-9-16)13-5-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyGEKGWNKAPJGZKE-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.32
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-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamide
CID 18573555
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide (CID 63394289) is N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(CCCl)C2CC2)cc1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide?
The InChIKey is GEKGWNKAPJGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(2)19-14-7-3-12(4-8-14)15(18)17(10-9-16)13-5-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide?
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.32, 6 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-4-propan-2-yloxybenzamide is sourced from PubChem (CID 63394289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).