N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

C16H24ClN3O — CID 23139916

IUPACN-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-11(2)20(12(3)4)15-9-19(10-15)16(21)18-14-7-5-6-13(17)8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyINGOMYXQNBRXMG-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.67
Rot. Bonds4

About N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (PubChem CID 23139916) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
PubChem CID23139916
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-11(2)20(12(3)4)15-9-19(10-15)16(21)18-14-7-5-6-13(17)8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyINGOMYXQNBRXMG-UHFFFAOYSA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
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CID 59001093
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
CID 71809355
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
CID 110746926
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139973
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (CID 23139916) is N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is CC(C)N(C(C)C)C1CN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The InChIKey is INGOMYXQNBRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)20(12(3)4)15-9-19(10-15)16(21)18-14-7-5-6-13(17)8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 23139916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).