3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide

C18H17F2NO2 — CID 97042590

IUPAC3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2/c19-15-6-5-13(9-16(15)20)17(22)21-11-18(23)8-7-12-3-1-2-4-14(12)10-18/h1-6,9,23H,7-8,10-11H2,(H,21,22)/t18-/m1/s1
InChIKeyRNUKJBSFSNKZAC-GOSISDBHSA-N
MW317.34 g/mol
LogP2.61
Rot. Bonds3

About 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide

3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide (PubChem CID 97042590) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
PubChem CID97042590
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2/c19-15-6-5-13(9-16(15)20)17(22)21-11-18(23)8-7-12-3-1-2-4-14(12)10-18/h1-6,9,23H,7-8,10-11H2,(H,21,22)/t18-/m1/s1
InChIKeyRNUKJBSFSNKZAC-GOSISDBHSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71803564
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3,5-dimethoxybenzamide
CID 71803567
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide (CID 97042590) is 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide is O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide?
The InChIKey is RNUKJBSFSNKZAC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-15-6-5-13(9-16(15)20)17(22)21-11-18(23)8-7-12-3-1-2-4-14(12)10-18/h1-6,9,23H,7-8,10-11H2,(H,21,22)/t18-/m1/s1.
What are the key properties of 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide?
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide has a molecular weight of 317.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide is sourced from PubChem (CID 97042590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).