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

C21H25FN2O3 — CID 55890536

IUPACN-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H25FN2O3/c1-21(2,3)20(26)23-11-10-19(25)24-17-8-5-9-18(13-17)27-14-15-6-4-7-16(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyPRRAVXVUHURAAG-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.90
Rot. Bonds7

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

N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 55890536) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID55890536
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H25FN2O3/c1-21(2,3)20(26)23-11-10-19(25)24-17-8-5-9-18(13-17)27-14-15-6-4-7-16(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyPRRAVXVUHURAAG-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-[3-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55804995
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 55890536) is N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is PRRAVXVUHURAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-21(2,3)20(26)23-11-10-19(25)24-17-8-5-9-18(13-17)27-14-15-6-4-7-16(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55890536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).