4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide

C18H19ClFNO2 — CID 52834676

IUPAC4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C18H19ClFNO2/c1-18(2,14-6-4-5-7-15(14)20)11-21-17(22)13-9-8-12(19)10-16(13)23-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyKNYDIJHDTYYENX-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.20
Rot. Bonds5

About 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide

4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide (PubChem CID 52834676) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
PubChem CID52834676
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C18H19ClFNO2/c1-18(2,14-6-4-5-7-15(14)20)11-21-17(22)13-9-8-12(19)10-16(13)23-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyKNYDIJHDTYYENX-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide (CID 52834676) is 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide?
The InChIKey is KNYDIJHDTYYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-18(2,14-6-4-5-7-15(14)20)11-21-17(22)13-9-8-12(19)10-16(13)23-3/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide?
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide has a molecular weight of 335.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide is sourced from PubChem (CID 52834676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).