3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride

C10H13ClFN3O — CID 139034966

IUPAC3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
SMILESCl.NC1CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C10H12FN3O.ClH/c11-7-2-1-3-9(4-7)13-10(15)14-5-8(12)6-14;/h1-4,8H,5-6,12H2,(H,13,15);1H
InChIKeySBHZOOQMHUBIKJ-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.42
Rot. Bonds1

About 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride

3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride (PubChem CID 139034966) has the molecular formula C10H13ClFN3O and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
PubChem CID139034966
Molecular FormulaC10H13ClFN3O
Molecular Weight245.69 g/mol
Exact Mass245.07
IUPAC Name3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
SMILESCl.NC1CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C10H12FN3O.ClH/c11-7-2-1-3-9(4-7)13-10(15)14-5-8(12)6-14;/h1-4,8H,5-6,12H2,(H,13,15);1H
InChIKeySBHZOOQMHUBIKJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
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(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
CID 23140545
2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
CID 102938478
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 23140398
(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
CID 166027296
3-amino-N-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 154903217
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
CID 79681361

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride (CID 139034966) is 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride is Cl.NC1CN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride?
The InChIKey is SBHZOOQMHUBIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O.ClH/c11-7-2-1-3-9(4-7)13-10(15)14-5-8(12)6-14;/h1-4,8H,5-6,12H2,(H,13,15);1H.
What are the key properties of 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride?
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride has a molecular weight of 245.69 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 139034966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).