1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one

C13H17ClN2O2 — CID 75418068

IUPAC1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
SMILESCOc1ccc(Cl)cc1NCCC(=O)N1CCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-4-3-10(14)9-11(12)15-6-5-13(17)16-7-2-8-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyMGQDJVDHENATKF-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds5

About 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one

1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one (PubChem CID 75418068) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
PubChem CID75418068
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
SMILESCOc1ccc(Cl)cc1NCCC(=O)N1CCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-4-3-10(14)9-11(12)15-6-5-13(17)16-7-2-8-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyMGQDJVDHENATKF-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(5-chloro-2-methoxyanilino)propanoyl]piperazine-1-carboxylate
CID 47824668
3-(5-chloro-2-methoxyanilino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561086
3-(5-chloro-2-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027259
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119413450
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 120655428
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119634623
3-(5-chloro-2-methoxyanilino)-1-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]propan-1-one
CID 99779193
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
1-(azepan-1-yl)-3-(3-chloro-4-methoxyanilino)propan-1-one
CID 109033534
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 60599356
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one (CID 75418068) is 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one is COc1ccc(Cl)cc1NCCC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one?
The InChIKey is MGQDJVDHENATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-4-3-10(14)9-11(12)15-6-5-13(17)16-7-2-8-16/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one?
1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one is sourced from PubChem (CID 75418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).