N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide

C19H22FNO2 — CID 37469359

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)18(22)21-12-14-7-9-17(10-8-14)23-13-15-5-4-6-16(20)11-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyOLTOWMYHGUNNBT-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.07
Rot. Bonds5

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 37469359) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID37469359
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)18(22)21-12-14-7-9-17(10-8-14)23-13-15-5-4-6-16(20)11-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyOLTOWMYHGUNNBT-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
N-tert-butyl-2-[[N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385412
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
CID 38526114

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide (CID 37469359) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is OLTOWMYHGUNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-19(2,3)18(22)21-12-14-7-9-17(10-8-14)23-13-15-5-4-6-16(20)11-15/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 37469359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).