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

C22H20FNO2 — CID 100613122

IUPAC3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1F
InChIInChI=1S/C22H20FNO2/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(25)17-12-13-20(26-2)19(23)14-17/h3-14,21H,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyDHHHQNCRAOIBQM-OAQYLSRUSA-N
MW349.41 g/mol
LogP4.66
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 100613122) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID100613122
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1F
InChIInChI=1S/C22H20FNO2/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(25)17-12-13-20(26-2)19(23)14-17/h3-14,21H,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyDHHHQNCRAOIBQM-OAQYLSRUSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide (CID 100613122) is 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide is COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is DHHHQNCRAOIBQM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(25)17-12-13-20(26-2)19(23)14-17/h3-14,21H,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide?
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 100613122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).