4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide

C28H23Cl2NO2 — CID 42657158

IUPAC4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl2NO2/c1-20(22-7-3-2-4-8-22)31(28(32)23-10-12-24(29)13-11-23)19-21-6-5-9-27(18-21)33-26-16-14-25(30)15-17-26/h2-18,20H,19H2,1H3
InChIKeyICQWOVKFHOPVTH-UHFFFAOYSA-N
MW476.40 g/mol
LogP8.19
Rot. Bonds7

About 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide (PubChem CID 42657158) has the molecular formula C28H23Cl2NO2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
PubChem CID42657158
Molecular FormulaC28H23Cl2NO2
Molecular Weight476.40 g/mol
Exact Mass475.11
IUPAC Name4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl2NO2/c1-20(22-7-3-2-4-8-22)31(28(32)23-10-12-24(29)13-11-23)19-21-6-5-9-27(18-21)33-26-16-14-25(30)15-17-26/h2-18,20H,19H2,1H3
InChIKeyICQWOVKFHOPVTH-UHFFFAOYSA-N
XLogP8.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.40
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 42702973
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide
CID 42700380
N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide
CID 4566053
2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
CID 24738387
1-[[3-(4-chlorophenoxy)phenyl]methyl]-1-[5-(diethylamino)pentan-2-yl]-3-(4-ethylphenyl)urea
CID 42700392
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
CID 21125417
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
N-(1-phenylethyl)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42657111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide (CID 42657158) is 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is ICQWOVKFHOPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2NO2/c1-20(22-7-3-2-4-8-22)31(28(32)23-10-12-24(29)13-11-23)19-21-6-5-9-27(18-21)33-26-16-14-25(30)15-17-26/h2-18,20H,19H2,1H3.
What are the key properties of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide?
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 476.40 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).