N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide

C22H20FNO2 — CID 27708301

IUPACN-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C22H20FNO2/c1-26-21-13-12-18(15-19(21)23)22(25)24-20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,20H,14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyJKLUGCQTILGDGL-HXUWFJFHSA-N
MW349.41 g/mol
LogP4.55
Rot. Bonds6

About N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide

N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 27708301) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
PubChem CID27708301
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC NameN-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C22H20FNO2/c1-26-21-13-12-18(15-19(21)23)22(25)24-20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,20H,14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyJKLUGCQTILGDGL-HXUWFJFHSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
CID 4318672
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
N-[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-3-iodobenzamide
CID 97037048

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide (CID 27708301) is N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is JKLUGCQTILGDGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-26-21-13-12-18(15-19(21)23)22(25)24-20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,20H,14H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide?
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 349.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 27708301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).