3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide

C16H21Cl2N3O — CID 67082547

IUPAC3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCCCCC2)C1
InChIInChI=1S/C16H21Cl2N3O/c17-12-7-13(18)9-14(8-12)19-16(22)21-10-15(11-21)20-5-3-1-2-4-6-20/h7-9,15H,1-6,10-11H2,(H,19,22)
InChIKeyXUYFDDCLYIAGKC-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.09
Rot. Bonds2

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

3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide (PubChem CID 67082547) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
PubChem CID67082547
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCCCCC2)C1
InChIInChI=1S/C16H21Cl2N3O/c17-12-7-13(18)9-14(8-12)19-16(22)21-10-15(11-21)20-5-3-1-2-4-6-20/h7-9,15H,1-6,10-11H2,(H,19,22)
InChIKeyXUYFDDCLYIAGKC-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 23140022
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
methyl 3-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]-5-chlorobenzoate
CID 124606987
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide (CID 67082547) is 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCCCCC2)C1.
What is the InChIKey of 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
The InChIKey is XUYFDDCLYIAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-12-7-13(18)9-14(8-12)19-16(22)21-10-15(11-21)20-5-3-1-2-4-6-20/h7-9,15H,1-6,10-11H2,(H,19,22).
What are the key properties of 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide?
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 67082547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).