N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide

C12H15ClN2O2 — CID 66187779

IUPACN-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C)C1CNC1
InChIInChI=1S/C12H15ClN2O2/c1-15(9-6-14-7-9)12(16)10-4-3-8(13)5-11(10)17-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUEKUQSMAQOUYDY-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.39
Rot. Bonds3

About N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide

N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide (PubChem CID 66187779) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
PubChem CID66187779
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C)C1CNC1
InChIInChI=1S/C12H15ClN2O2/c1-15(9-6-14-7-9)12(16)10-4-3-8(13)5-11(10)17-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUEKUQSMAQOUYDY-UHFFFAOYSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104783836
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 72991368
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
4-chloro-2-methoxybenzamide
CID 19741766
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide (CID 66187779) is N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide is COc1cc(Cl)ccc1C(=O)N(C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide?
The InChIKey is UEKUQSMAQOUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(9-6-14-7-9)12(16)10-4-3-8(13)5-11(10)17-2/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide?
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide has a molecular weight of 254.72 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 66187779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).