N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide

C20H23FN2O2 — CID 171675087

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)c1ccc(F)cc1)c1ccccc1CN1CCCC1
InChIInChI=1S/C20H23FN2O2/c21-17-9-7-15(8-10-17)19(14-24)22-20(25)18-6-2-1-5-16(18)13-23-11-3-4-12-23/h1-2,5-10,19,24H,3-4,11-14H2,(H,22,25)/t19-/m0/s1
InChIKeyQQORWERZXYQUHX-IBGZPJMESA-N
MW342.41 g/mol
LogP2.88
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 171675087) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID171675087
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)c1ccc(F)cc1)c1ccccc1CN1CCCC1
InChIInChI=1S/C20H23FN2O2/c21-17-9-7-15(8-10-17)19(14-24)22-20(25)18-6-2-1-5-16(18)13-23-11-3-4-12-23/h1-2,5-10,19,24H,3-4,11-14H2,(H,22,25)/t19-/m0/s1
InChIKeyQQORWERZXYQUHX-IBGZPJMESA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
CID 74245074
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
CID 12806258
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide (CID 171675087) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide is O=C(N[C@@H](CO)c1ccc(F)cc1)c1ccccc1CN1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is QQORWERZXYQUHX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-9-7-15(8-10-17)19(14-24)22-20(25)18-6-2-1-5-16(18)13-23-11-3-4-12-23/h1-2,5-10,19,24H,3-4,11-14H2,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 342.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 171675087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).