3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide

C20H22F2N2O2 — CID 126449277

IUPAC3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCCN1)c1cccc(-c2cc(O)c(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-11-15(12-18(25)19(17)22)13-4-3-5-14(10-13)20(26)24-9-7-16-6-1-2-8-23-16/h3-5,10-12,16,23,25H,1-2,6-9H2,(H,24,26)/t16-/m0/s1
InChIKeyUMBHDGSZPMPCKT-INIZCTEOSA-N
MW360.40 g/mol
LogP3.60
Rot. Bonds5

About 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide

3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide (PubChem CID 126449277) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide
PubChem CID126449277
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCCN1)c1cccc(-c2cc(O)c(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-11-15(12-18(25)19(17)22)13-4-3-5-14(10-13)20(26)24-9-7-16-6-1-2-8-23-16/h3-5,10-12,16,23,25H,1-2,6-9H2,(H,24,26)/t16-/m0/s1
InChIKeyUMBHDGSZPMPCKT-INIZCTEOSA-N
XLogP3.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide?
The IUPAC name of 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide (CID 126449277) is 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide is O=C(NCC[C@@H]1CCCCN1)c1cccc(-c2cc(O)c(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide?
The InChIKey is UMBHDGSZPMPCKT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-17-11-15(12-18(25)19(17)22)13-4-3-5-14(10-13)20(26)24-9-7-16-6-1-2-8-23-16/h3-5,10-12,16,23,25H,1-2,6-9H2,(H,24,26)/t16-/m0/s1.
What are the key properties of 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide?
3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 126449277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).