3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide

C20H21F2NO2 — CID 95100723

IUPAC3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
SMILESO=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2NO2/c21-17-8-7-15(13-18(17)22)19(24)23-14-20(9-4-11-25-12-10-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t20-/m0/s1
InChIKeyRILZVSCWWGYABC-FQEVSTJZSA-N
MW345.39 g/mol
LogP3.83
Rot. Bonds4

About 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide

3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide (PubChem CID 95100723) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
PubChem CID95100723
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
SMILESO=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2NO2/c21-17-8-7-15(13-18(17)22)19(24)23-14-20(9-4-11-25-12-10-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t20-/m0/s1
InChIKeyRILZVSCWWGYABC-FQEVSTJZSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60620970
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide (CID 95100723) is 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide is O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide?
The InChIKey is RILZVSCWWGYABC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-17-8-7-15(13-18(17)22)19(24)23-14-20(9-4-11-25-12-10-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t20-/m0/s1.
What are the key properties of 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide?
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide has a molecular weight of 345.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide is sourced from PubChem (CID 95100723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).