4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

C22H24N2O2 — CID 119059199

IUPAC4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(15-22(16-25)11-2-3-12-22)21(26)19-9-7-18(8-10-19)20-6-4-5-17(13-20)14-23/h4-10,13,25H,2-3,11-12,15-16H2,1H3
InChIKeyVWOHIPIDMTWESW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.85
Rot. Bonds5

About 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (PubChem CID 119059199) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
PubChem CID119059199
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(15-22(16-25)11-2-3-12-22)21(26)19-9-7-18(8-10-19)20-6-4-5-17(13-20)14-23/h4-10,13,25H,2-3,11-12,15-16H2,1H3
InChIKeyVWOHIPIDMTWESW-UHFFFAOYSA-N
XLogP3.85
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
CID 119061327
4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91760239
3-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]phenyl]benzonitrile
CID 126450683
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91769756
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
3-[[1-(bromomethyl)cyclopentyl]methyl-methylamino]benzonitrile
CID 65003005
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (CID 119059199) is 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The InChIKey is VWOHIPIDMTWESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-24(15-22(16-25)11-2-3-12-22)21(26)19-9-7-18(8-10-19)20-6-4-5-17(13-20)14-23/h4-10,13,25H,2-3,11-12,15-16H2,1H3.
What are the key properties of 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 119059199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).