3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

C28H24ClNO2 — CID 100749590

IUPAC3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C28H24ClNO2/c1-20-14-16-22(17-15-20)27(21-8-3-2-4-9-21)30-28(31)23-11-7-12-25(18-23)32-19-24-10-5-6-13-26(24)29/h2-18,27H,19H2,1H3,(H,30,31)/t27-/m1/s1
InChIKeyXUZQMYDFYWDDBS-HHHXNRCGSA-N
MW441.96 g/mol
LogP6.75
Rot. Bonds7

About 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 100749590) has the molecular formula C28H24ClNO2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID100749590
Molecular FormulaC28H24ClNO2
Molecular Weight441.96 g/mol
Exact Mass441.15
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C28H24ClNO2/c1-20-14-16-22(17-15-20)27(21-8-3-2-4-9-21)30-28(31)23-11-7-12-25(18-23)32-19-24-10-5-6-13-26(24)29/h2-18,27H,19H2,1H3,(H,30,31)/t27-/m1/s1
InChIKeyXUZQMYDFYWDDBS-HHHXNRCGSA-N
XLogP6.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 133189944
3-[(2-chlorophenyl)methoxy]-N-[(R)-(3-methylphenyl)-phenylmethyl]benzamide
CID 100749901
3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132659858
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100583410
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (CID 100749590) is 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is XUZQMYDFYWDDBS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24ClNO2/c1-20-14-16-22(17-15-20)27(21-8-3-2-4-9-21)30-28(31)23-11-7-12-25(18-23)32-19-24-10-5-6-13-26(24)29/h2-18,27H,19H2,1H3,(H,30,31)/t27-/m1/s1.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 441.96 g/mol, XLogP of 6.75, 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-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 100749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).