N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

C17H17ClFNO2 — CID 175724616

IUPACN-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)NCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-11-3-2-4-14(19)16(11)17(22)20-10-9-15(21)12-5-7-13(18)8-6-12/h2-8,15,21H,9-10H2,1H3,(H,20,22)
InChIKeyDHLOOTCNNGQIGV-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.64
Rot. Bonds5

About N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 175724616) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID175724616
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)NCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-11-3-2-4-14(19)16(11)17(22)20-10-9-15(21)12-5-7-13(18)8-6-12/h2-8,15,21H,9-10H2,1H3,(H,20,22)
InChIKeyDHLOOTCNNGQIGV-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic Acid
CID 3616161
N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-ethyl}-4-fluoro-benzamide
CID 13900361
4-[[3-(4-Chlorophenyl)-3-hydroxypropyl]-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 44401684
N-[3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 59444242
2-(2-(4-Chlorophenyl)-2-hydroxypropyl)-N-methylbenzamide
CID 4165818
Isoquinolin-1(2H)-ones, 1d
CID 134611905
2-(4-chlorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44270958
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-methylbenzamide
CID 45816389
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442
N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328484
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
CID 71982880
N-(3-hydroxy-3-phenylpropyl)benzamide
CID 14116451

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 175724616) is N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is Cc1cccc(F)c1C(=O)NCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is DHLOOTCNNGQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-11-3-2-4-14(19)16(11)17(22)20-10-9-15(21)12-5-7-13(18)8-6-12/h2-8,15,21H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 321.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 175724616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).