2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide

C17H17ClFNO2 — CID 97428331

IUPAC2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
SMILESCO[C@](C)(CNC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c1-17(22-2,13-8-4-6-10-15(13)19)11-20-16(21)12-7-3-5-9-14(12)18/h3-10H,11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyCWBLMPOVKLRFOT-QGZVFWFLSA-N
MW321.78 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide

2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide (PubChem CID 97428331) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
PubChem CID97428331
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
SMILESCO[C@](C)(CNC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c1-17(22-2,13-8-4-6-10-15(13)19)11-20-16(21)12-7-3-5-9-14(12)18/h3-10H,11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyCWBLMPOVKLRFOT-QGZVFWFLSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
4-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-nitrobenzamide
CID 90599164
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide (CID 97428331) is 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide is CO[C@](C)(CNC(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The InChIKey is CWBLMPOVKLRFOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-17(22-2,13-8-4-6-10-15(13)19)11-20-16(21)12-7-3-5-9-14(12)18/h3-10H,11H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide has a molecular weight of 321.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide is sourced from PubChem (CID 97428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).