N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide

C27H22ClNO2 — CID 16663789

IUPACN-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C27H22ClNO2/c28-26-14-8-7-13-24(26)23-16-15-22(31-19-21-11-5-2-6-12-21)17-25(23)27(30)29-18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,29,30)
InChIKeyOVJSWLAGFPQFNB-UHFFFAOYSA-N
MW427.93 g/mol
LogP6.52
Rot. Bonds7

About N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide

N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide (PubChem CID 16663789) has the molecular formula C27H22ClNO2 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
PubChem CID16663789
Molecular FormulaC27H22ClNO2
Molecular Weight427.93 g/mol
Exact Mass427.13
IUPAC NameN-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C27H22ClNO2/c28-26-14-8-7-13-24(26)23-16-15-22(31-19-21-11-5-2-6-12-21)17-25(23)27(30)29-18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,29,30)
InChIKeyOVJSWLAGFPQFNB-UHFFFAOYSA-N
XLogP6.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
CID 16664137
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
CID 59608437
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide?
The IUPAC name of N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide (CID 16663789) is N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide?
The canonical SMILES for N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide is O=C(NCc1ccccc1)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide?
The InChIKey is OVJSWLAGFPQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO2/c28-26-14-8-7-13-24(26)23-16-15-22(31-19-21-11-5-2-6-12-21)17-25(23)27(30)29-18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,29,30).
What are the key properties of N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide?
N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide has a molecular weight of 427.93 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 16663789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).