3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C19H20F2N2O — CID 51710589

IUPAC3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O/c20-16-9-8-15(12-17(16)21)19(24)22-13-18(23-10-4-5-11-23)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H,22,24)/t18-/m0/s1
InChIKeyMJSNJFJWKLJCPD-SFHVURJKSA-N
MW330.38 g/mol
LogP3.53
Rot. Bonds5

About 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 51710589) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID51710589
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O/c20-16-9-8-15(12-17(16)21)19(24)22-13-18(23-10-4-5-11-23)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H,22,24)/t18-/m0/s1
InChIKeyMJSNJFJWKLJCPD-SFHVURJKSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990737
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
4-chloro-3-nitro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 8798745

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 51710589) is 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is MJSNJFJWKLJCPD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-16-9-8-15(12-17(16)21)19(24)22-13-18(23-10-4-5-11-23)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 51710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).