3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide

C10H11Cl2N3O — CID 107654152

IUPAC3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
SMILESNC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O/c11-6-1-7(12)3-9(2-6)14-10(16)15-4-8(13)5-15/h1-3,8H,4-5,13H2,(H,14,16)
InChIKeyYBZHRZVUPITBPQ-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.17
Rot. Bonds1

About 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide

3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide (PubChem CID 107654152) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
PubChem CID107654152
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
SMILESNC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O/c11-6-1-7(12)3-9(2-6)14-10(16)15-4-8(13)5-15/h1-3,8H,4-5,13H2,(H,14,16)
InChIKeyYBZHRZVUPITBPQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 23140022
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
N-(3,5-dichlorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 107654345
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide (CID 107654152) is 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide is NC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The InChIKey is YBZHRZVUPITBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-6-1-7(12)3-9(2-6)14-10(16)15-4-8(13)5-15/h1-3,8H,4-5,13H2,(H,14,16).
What are the key properties of 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide has a molecular weight of 260.12 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 107654152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).