2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride

C19H21ClF2N2O3 — CID 171710872

IUPAC2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl
InChIInChI=1S/C19H20F2N2O3.ClH/c1-26-14-8-7-13(20)17(21)16(14)18(25)23-19(9-10-22-11-15(19)24)12-5-3-2-4-6-12;/h2-8,15,22,24H,9-11H2,1H3,(H,23,25);1H/t15-,19+;/m1./s1
InChIKeySYXDVUPCGPJPCR-WSCVZUBPSA-N
MW398.84 g/mol
LogP2.37
Rot. Bonds4

About 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride

2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride (PubChem CID 171710872) has the molecular formula C19H21ClF2N2O3 and a molecular weight of 398.84 g/mol. Its IUPAC name is 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride
PubChem CID171710872
Molecular FormulaC19H21ClF2N2O3
Molecular Weight398.84 g/mol
Exact Mass398.12
IUPAC Name2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl
InChIInChI=1S/C19H20F2N2O3.ClH/c1-26-14-8-7-13(20)17(21)16(14)18(25)23-19(9-10-22-11-15(19)24)12-5-3-2-4-6-12;/h2-8,15,22,24H,9-11H2,1H3,(H,23,25);1H/t15-,19+;/m1./s1
InChIKeySYXDVUPCGPJPCR-WSCVZUBPSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]carbamoyl]benzoate;hydrochloride
CID 171710620
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 171712925
N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 171708269
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-2-pyrazol-1-ylbenzamide;hydrochloride
CID 171710622
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
CID 171712960
acetic acid;N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 171330415
2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 91774325
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 171708881
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-pyrazol-1-ylbutanamide;hydrochloride
CID 171708084
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride (CID 171710872) is 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride is COc1ccc(F)c(F)c1C(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl.
What is the InChIKey of 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride?
The InChIKey is SYXDVUPCGPJPCR-WSCVZUBPSA-N. The full InChI is InChI=1S/C19H20F2N2O3.ClH/c1-26-14-8-7-13(20)17(21)16(14)18(25)23-19(9-10-22-11-15(19)24)12-5-3-2-4-6-12;/h2-8,15,22,24H,9-11H2,1H3,(H,23,25);1H/t15-,19+;/m1./s1.
What are the key properties of 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride?
2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride has a molecular weight of 398.84 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride is sourced from PubChem (CID 171710872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).