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

C19H22FNO2 — CID 112828000

IUPACN-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)18(22)21(4)16-8-10-17(11-9-16)23-13-14-6-5-7-15(20)12-14/h5-12H,13H2,1-4H3
InChIKeyJUWMDUJWLLRFAB-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.41
Rot. Bonds4

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

N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 112828000) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
PubChem CID112828000
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)18(22)21(4)16-8-10-17(11-9-16)23-13-14-6-5-7-15(20)12-14/h5-12H,13H2,1-4H3
InChIKeyJUWMDUJWLLRFAB-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
N,2,2-trimethyl-N-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]propanamide
CID 112827996
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide (CID 112828000) is N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is JUWMDUJWLLRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-19(2,3)18(22)21(4)16-8-10-17(11-9-16)23-13-14-6-5-7-15(20)12-14/h5-12H,13H2,1-4H3.
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 112828000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).