5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide

C18H17ClN2O2 — CID 8813101

IUPAC5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
SMILESCN(CCC#N)C(=O)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-21(11-5-10-20)18(22)16-12-15(19)8-9-17(16)23-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,11,13H2,1H3
InChIKeyFRWFRPPTNIESNI-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.90
Rot. Bonds6

About 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide

5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide (PubChem CID 8813101) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
PubChem CID8813101
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
SMILESCN(CCC#N)C(=O)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-21(11-5-10-20)18(22)16-12-15(19)8-9-17(16)23-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,11,13H2,1H3
InChIKeyFRWFRPPTNIESNI-UHFFFAOYSA-N
XLogP3.90
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
CID 62238401
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
4-chloro-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 60676350
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium
CID 84838759
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 80658337
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide (CID 8813101) is 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide is CN(CCC#N)C(=O)c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide?
The InChIKey is FRWFRPPTNIESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-21(11-5-10-20)18(22)16-12-15(19)8-9-17(16)23-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,11,13H2,1H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide?
5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide has a molecular weight of 328.80 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide is sourced from PubChem (CID 8813101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).