N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide

C16H22ClNO — CID 63391726

IUPACN-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCCl)C2CCCC2)c1C
InChIInChI=1S/C16H22ClNO/c1-12-6-5-9-15(13(12)2)16(19)18(11-10-17)14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyRBXHDXWBHVGOQY-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.93
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide

N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide (PubChem CID 63391726) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
PubChem CID63391726
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCCl)C2CCCC2)c1C
InChIInChI=1S/C16H22ClNO/c1-12-6-5-9-15(13(12)2)16(19)18(11-10-17)14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyRBXHDXWBHVGOQY-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide (CID 63391726) is N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide is Cc1cccc(C(=O)N(CCCl)C2CCCC2)c1C.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide?
The InChIKey is RBXHDXWBHVGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-6-5-9-15(13(12)2)16(19)18(11-10-17)14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide?
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide has a molecular weight of 279.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide is sourced from PubChem (CID 63391726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).