N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide

C23H21F2NO2 — CID 95068212

IUPACN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C23H21F2NO2/c1-15(19-14-18(24)10-11-21(19)25)26(2)23(27)17-9-12-22(28-3)20(13-17)16-7-5-4-6-8-16/h4-15H,1-3H3/t15-/m1/s1
InChIKeyAROJTNWFXANJMV-OAHLLOKOSA-N
MW381.42 g/mol
LogP5.47
Rot. Bonds5

About N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide (PubChem CID 95068212) has the molecular formula C23H21F2NO2 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
PubChem CID95068212
Molecular FormulaC23H21F2NO2
Molecular Weight381.42 g/mol
Exact Mass381.15
IUPAC NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C23H21F2NO2/c1-15(19-14-18(24)10-11-21(19)25)26(2)23(27)17-9-12-22(28-3)20(13-17)16-7-5-4-6-8-16/h4-15H,1-3H3/t15-/m1/s1
InChIKeyAROJTNWFXANJMV-OAHLLOKOSA-N
XLogP5.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86998208
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 86925802
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
N-[1-(2,5-difluorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 78852350
methyl 4-methoxy-3-phenylbenzoate
CID 11010121

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide?
The IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide (CID 95068212) is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide?
The canonical SMILES for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide is COc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1-c1ccccc1.
What is the InChIKey of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide?
The InChIKey is AROJTNWFXANJMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F2NO2/c1-15(19-14-18(24)10-11-21(19)25)26(2)23(27)17-9-12-22(28-3)20(13-17)16-7-5-4-6-8-16/h4-15H,1-3H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide?
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide has a molecular weight of 381.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide is sourced from PubChem (CID 95068212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).