N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide

C18H26ClNO — CID 63391701

IUPACN-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCl)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26ClNO/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-9-19)16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3
InChIKeyGFZJNVFJCPCKDE-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.63
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide

N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide (PubChem CID 63391701) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
PubChem CID63391701
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(CCCl)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26ClNO/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-9-19)16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3
InChIKeyGFZJNVFJCPCKDE-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.63
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

N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
CID 65238018
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
CID 63391893
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806
N-(2-chloroethyl)-N-cyclobutyl-2,3,4,5,6-pentafluorobenzamide
CID 102872717
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide (CID 63391701) is N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)N(CCCl)C2CCCCC2)c(C)c1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide?
The InChIKey is GFZJNVFJCPCKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-11-14(2)17(15(3)12-13)18(21)20(10-9-19)16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide?
N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide has a molecular weight of 307.87 g/mol, XLogP of 4.63, 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-cyclohexyl-2,4,6-trimethylbenzamide is sourced from PubChem (CID 63391701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).