3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide

C16H22ClNO2 — CID 100566051

IUPAC3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19)
InChIKeyUWCFNRNZYYEPKY-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide

3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide (PubChem CID 100566051) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
PubChem CID100566051
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19)
InChIKeyUWCFNRNZYYEPKY-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxybenzamide
CID 100583600
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide (CID 100566051) is 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide?
The InChIKey is UWCFNRNZYYEPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide?
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide has a molecular weight of 295.81 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide is sourced from PubChem (CID 100566051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).