5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide

C17H17ClFNO2 — CID 166667390

IUPAC5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO2/c1-17(2,11-4-7-13(19)8-5-11)20-16(21)14-10-12(18)6-9-15(14)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyVRMZDXOBZSIRTF-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.15
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide

5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide (PubChem CID 166667390) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
PubChem CID166667390
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO2/c1-17(2,11-4-7-13(19)8-5-11)20-16(21)14-10-12(18)6-9-15(14)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyVRMZDXOBZSIRTF-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
5-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90548144
5-chloro-N-[3-(chloromethyl)pentan-3-yl]-2-methoxybenzamide
CID 114304627
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
CID 63886993
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide (CID 166667390) is 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide?
The InChIKey is VRMZDXOBZSIRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-17(2,11-4-7-13(19)8-5-11)20-16(21)14-10-12(18)6-9-15(14)22-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide?
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide has a molecular weight of 321.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 166667390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).