N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide

C20H27ClN4O2 — CID 67057839

IUPACN-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C20H27ClN4O2/c21-16-5-7-17(8-6-16)22-19(26)15-13-25(14-15)20(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,15,18H,1-4,9-14H2,(H,22,26)
InChIKeyGKLRAKKEDKVUOY-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.89
Rot. Bonds3

About N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide

N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide (PubChem CID 67057839) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
PubChem CID67057839
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C20H27ClN4O2/c21-16-5-7-17(8-6-16)22-19(26)15-13-25(14-15)20(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,15,18H,1-4,9-14H2,(H,22,26)
InChIKeyGKLRAKKEDKVUOY-UHFFFAOYSA-N
XLogP2.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
CID 67057849
4-chloro-N-[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-N-methylbenzamide
CID 58243374
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide (CID 67057839) is N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide?
The InChIKey is GKLRAKKEDKVUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c21-16-5-7-17(8-6-16)22-19(26)15-13-25(14-15)20(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,15,18H,1-4,9-14H2,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide?
N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 67057839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).