4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide

C21H15ClN2O2 — CID 8977230

IUPAC4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c22-19-12-16(13-23)8-11-20(19)26-14-15-6-9-17(10-7-15)21(25)24-18-4-2-1-3-5-18/h1-12H,14H2,(H,24,25)
InChIKeyCDHZSXCZQDPSLA-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.04
Rot. Bonds5

About 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide

4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide (PubChem CID 8977230) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
PubChem CID8977230
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c22-19-12-16(13-23)8-11-20(19)26-14-15-6-9-17(10-7-15)21(25)24-18-4-2-1-3-5-18/h1-12H,14H2,(H,24,25)
InChIKeyCDHZSXCZQDPSLA-UHFFFAOYSA-N
XLogP5.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-[(2-formyl-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 8534889
4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide (CID 8977230) is 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide is N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide?
The InChIKey is CDHZSXCZQDPSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-19-12-16(13-23)8-11-20(19)26-14-15-6-9-17(10-7-15)21(25)24-18-4-2-1-3-5-18/h1-12H,14H2,(H,24,25).
What are the key properties of 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide?
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide has a molecular weight of 362.82 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide is sourced from PubChem (CID 8977230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).