N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide

C27H21Cl2NO2 — CID 3890451

IUPACN-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21Cl2NO2/c28-23-11-9-22(10-12-23)27(31)30(18-20-5-2-1-3-6-20)19-21-7-4-8-26(17-21)32-25-15-13-24(29)14-16-25/h1-17H,18-19H2
InChIKeyOPGISRYMFCKLOH-UHFFFAOYSA-N
MW462.38 g/mol
LogP7.63
Rot. Bonds7

About N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide

N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide (PubChem CID 3890451) has the molecular formula C27H21Cl2NO2 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
PubChem CID3890451
Molecular FormulaC27H21Cl2NO2
Molecular Weight462.38 g/mol
Exact Mass461.09
IUPAC NameN-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21Cl2NO2/c28-23-11-9-22(10-12-23)27(31)30(18-20-5-2-1-3-6-20)19-21-7-4-8-26(17-21)32-25-15-13-24(29)14-16-25/h1-17H,18-19H2
InChIKeyOPGISRYMFCKLOH-UHFFFAOYSA-N
XLogP7.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]-4-phenoxybenzamide
CID 11656423
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 44759678
N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
CID 54481452
methyl 4-[[benzoyl-[2-[4-(3-chlorophenoxy)phenyl]ethyl]amino]methyl]benzoate
CID 121482237
methyl 3-[[4-[2-(dibenzylamino)ethoxy]benzoyl]-[(3-phenoxyphenyl)methyl]amino]propanoate
CID 66912637
4-[[[4-(3-chlorophenoxy)benzoyl]-(2-phenylethenyl)amino]methyl]benzoic acid
CID 174790995
[3-[[(4-chlorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
CID 4998712
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
dimethyl 4-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]benzene-1,3-dicarboxylate
CID 67767744
methyl 3-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-5-(hydroxymethyl)benzoate
CID 67768058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide?
The IUPAC name of N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide (CID 3890451) is N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide?
The InChIKey is OPGISRYMFCKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2NO2/c28-23-11-9-22(10-12-23)27(31)30(18-20-5-2-1-3-6-20)19-21-7-4-8-26(17-21)32-25-15-13-24(29)14-16-25/h1-17H,18-19H2.
What are the key properties of N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide?
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide has a molecular weight of 462.38 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 3890451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).