4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide

C18H26ClNO — CID 23447932

IUPAC4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C18H26ClNO/c1-3-20(4-2)18(21)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h10-14,17H,3-9H2,1-2H3
InChIKeyHQIYCQJCZAWXSZ-UHFFFAOYSA-N
MW307.87 g/mol
LogP5.03
Rot. Bonds5

About 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide

4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide (PubChem CID 23447932) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide
PubChem CID23447932
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C18H26ClNO/c1-3-20(4-2)18(21)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h10-14,17H,3-9H2,1-2H3
InChIKeyHQIYCQJCZAWXSZ-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.87
LogP ≤ 55.03
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

[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 8705826
1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 119616497
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
4-butyl-N,N-diethylbenzamide
CID 60675001
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide (CID 23447932) is 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(Cl)C2CCCCC2)cc1.
What is the InChIKey of 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide?
The InChIKey is HQIYCQJCZAWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-3-20(4-2)18(21)16-12-10-15(11-13-16)17(19)14-8-6-5-7-9-14/h10-14,17H,3-9H2,1-2H3.
What are the key properties of 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide?
4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide has a molecular weight of 307.87 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(cyclohexyl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 23447932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).