N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide

C20H23FN2O3 — CID 134020920

IUPACN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)19(25)22-12-18(24)23-16-5-4-6-17(11-16)26-13-14-7-9-15(21)10-8-14/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKFQZQCJDLRXMOP-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 134020920) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID134020920
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)19(25)22-12-18(24)23-16-5-4-6-17(11-16)26-13-14-7-9-15(21)10-8-14/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKFQZQCJDLRXMOP-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 119713956
2,2-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17086198
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 134020920) is N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KFQZQCJDLRXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,3)19(25)22-12-18(24)23-16-5-4-6-17(11-16)26-13-14-7-9-15(21)10-8-14/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 358.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134020920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).