azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone

C11H13ClN2O — CID 146601728

IUPACazetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone
SMILESCNc1cc(Cl)cc(C(=O)N2CCC2)c1
InChIInChI=1S/C11H13ClN2O/c1-13-10-6-8(5-9(12)7-10)11(15)14-3-2-4-14/h5-7,13H,2-4H2,1H3
InChIKeyQHAKCJXDQWUSQK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.23
Rot. Bonds2

About azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone

azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone (PubChem CID 146601728) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone
PubChem CID146601728
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Nameazetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone
SMILESCNc1cc(Cl)cc(C(=O)N2CCC2)c1
InChIInChI=1S/C11H13ClN2O/c1-13-10-6-8(5-9(12)7-10)11(15)14-3-2-4-14/h5-7,13H,2-4H2,1H3
InChIKeyQHAKCJXDQWUSQK-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
N-(4-tert-butylphenyl)-4-(3,5-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 54584424
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
2-[4-(3,5-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823375
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
(3-chloro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406073
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
(3-chloro-5-methoxyphenyl)-[4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134708918

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone (CID 146601728) is azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone is CNc1cc(Cl)cc(C(=O)N2CCC2)c1.
What is the InChIKey of azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone?
The InChIKey is QHAKCJXDQWUSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-13-10-6-8(5-9(12)7-10)11(15)14-3-2-4-14/h5-7,13H,2-4H2,1H3.
What are the key properties of azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone?
azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone has a molecular weight of 224.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-chloro-5-(methylamino)phenyl]methanone is sourced from PubChem (CID 146601728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).