4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide

C20H17ClN2O2 — CID 2941233

IUPAC4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCC1
InChIInChI=1S/C20H17ClN2O2/c21-17-8-10-18(11-9-17)25-13-14-4-6-15(7-5-14)20(24)23-19-3-1-2-16(19)12-22/h4-11H,1-3,13H2,(H,23,24)
InChIKeyGZQUZZSJYQMGKB-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.61
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide

4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide (PubChem CID 2941233) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide
PubChem CID2941233
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCC1
InChIInChI=1S/C20H17ClN2O2/c21-17-8-10-18(11-9-17)25-13-14-4-6-15(7-5-14)20(24)23-19-3-1-2-16(19)12-22/h4-11H,1-3,13H2,(H,23,24)
InChIKeyGZQUZZSJYQMGKB-UHFFFAOYSA-N
XLogP4.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
CID 60584363
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide (CID 2941233) is 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide is N#CC1=C(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCC1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide?
The InChIKey is GZQUZZSJYQMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-8-10-18(11-9-17)25-13-14-4-6-15(7-5-14)20(24)23-19-3-1-2-16(19)12-22/h4-11H,1-3,13H2,(H,23,24).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide?
4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide is sourced from PubChem (CID 2941233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).