1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide

C16H21FN2O2 — CID 126819981

IUPAC1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
SMILESCC(CC(=O)N1CC(C)(C(N)=O)C1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-11(6-12-4-3-5-13(17)8-12)7-14(20)19-9-16(2,10-19)15(18)21/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,18,21)
InChIKeyCWUJOXYKQUMWKC-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.73
Rot. Bonds5

About 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide

1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide (PubChem CID 126819981) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
PubChem CID126819981
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
SMILESCC(CC(=O)N1CC(C)(C(N)=O)C1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-11(6-12-4-3-5-13(17)8-12)7-14(20)19-9-16(2,10-19)15(18)21/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,18,21)
InChIKeyCWUJOXYKQUMWKC-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119376448
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 126835524
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
CID 71984328
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
4-(3-fluorophenyl)-1-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 126819662
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide?
The IUPAC name of 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide (CID 126819981) is 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide is CC(CC(=O)N1CC(C)(C(N)=O)C1)Cc1cccc(F)c1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide?
The InChIKey is CWUJOXYKQUMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(6-12-4-3-5-13(17)8-12)7-14(20)19-9-16(2,10-19)15(18)21/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,18,21).
What are the key properties of 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide?
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 126819981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).