N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide

C19H22FNO2 — CID 167945432

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2CC(C)C)cc1F
InChIInChI=1S/C19H22FNO2/c1-13(2)10-15-6-4-5-7-16(15)19(22)21-12-14-8-9-18(23-3)17(20)11-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)
InChIKeyAOZAPBHMFSSRQP-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.96
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide (PubChem CID 167945432) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
PubChem CID167945432
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2CC(C)C)cc1F
InChIInChI=1S/C19H22FNO2/c1-13(2)10-15-6-4-5-7-16(15)19(22)21-12-14-8-9-18(23-3)17(20)11-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)
InChIKeyAOZAPBHMFSSRQP-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylbutoxy)benzamide
CID 144908484
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide (CID 167945432) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide is COc1ccc(CNC(=O)c2ccccc2CC(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide?
The InChIKey is AOZAPBHMFSSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(2)10-15-6-4-5-7-16(15)19(22)21-12-14-8-9-18(23-3)17(20)11-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide has a molecular weight of 315.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide is sourced from PubChem (CID 167945432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).