3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide

C24H24ClNO2 — CID 132659858

IUPAC3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-23(18-13-11-17(2)12-14-18)26-24(27)19-8-6-9-21(15-19)28-16-20-7-4-5-10-22(20)25/h4-15,23H,3,16H2,1-2H3,(H,26,27)
InChIKeyVPVTUBNWTKFLAI-UHFFFAOYSA-N
MW393.91 g/mol
LogP6.11
Rot. Bonds7

About 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide (PubChem CID 132659858) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
PubChem CID132659858
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-23(18-13-11-17(2)12-14-18)26-24(27)19-8-6-9-21(15-19)28-16-20-7-4-5-10-22(20)25/h4-15,23H,3,16H2,1-2H3,(H,26,27)
InChIKeyVPVTUBNWTKFLAI-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100749590
3-[(2-chlorophenyl)methoxy]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 133189944
3-[(2-chlorophenyl)methoxy]-N-[(R)-(3-methylphenyl)-phenylmethyl]benzamide
CID 100749901
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100583410
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
CID 134048764
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide (CID 132659858) is 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide is CCC(NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide?
The InChIKey is VPVTUBNWTKFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-3-23(18-13-11-17(2)12-14-18)26-24(27)19-8-6-9-21(15-19)28-16-20-7-4-5-10-22(20)25/h4-15,23H,3,16H2,1-2H3,(H,26,27).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide has a molecular weight of 393.91 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 132659858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).