3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide

C13H16FN3O2 — CID 142514923

IUPAC3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(NC=O)CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-16-11(19)13(17-8-18)6-12(15,7-13)9-3-2-4-10(14)5-9/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPGKZJJLVWCFYLJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.00
Rot. Bonds4

About 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide

3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide (PubChem CID 142514923) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide
PubChem CID142514923
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(NC=O)CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-16-11(19)13(17-8-18)6-12(15,7-13)9-3-2-4-10(14)5-9/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPGKZJJLVWCFYLJ-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
CID 137419677
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
CID 137413962
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[(1R)-2,2-bis(3-fluorophenyl)-1-methylcyclopropyl]prop-2-enoic acid
CID 54334338
(E)-3-[(1S)-2,2-bis(3-fluorophenyl)-1-methylcyclopropyl]prop-2-enoic acid
CID 14347563
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016881
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide (CID 142514923) is 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide is CNC(=O)C1(NC=O)CC(N)(c2cccc(F)c2)C1.
What is the InChIKey of 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide?
The InChIKey is PGKZJJLVWCFYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-16-11(19)13(17-8-18)6-12(15,7-13)9-3-2-4-10(14)5-9/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide?
3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 142514923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).