[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone

C16H17ClN2O2 — CID 138007923

IUPAC[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CC(Cc3ccoc3)C2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-18-13-2-3-14(15(17)7-13)16(20)19-8-12(9-19)6-11-4-5-21-10-11/h2-5,7,10,12,18H,6,8-9H2,1H3
InChIKeyYLSSBVSPHNQHHF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.29
Rot. Bonds4

About [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone

[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone (PubChem CID 138007923) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone
PubChem CID138007923
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CC(Cc3ccoc3)C2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-18-13-2-3-14(15(17)7-13)16(20)19-8-12(9-19)6-11-4-5-21-10-11/h2-5,7,10,12,18H,6,8-9H2,1H3
InChIKeyYLSSBVSPHNQHHF-UHFFFAOYSA-N
XLogP3.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone (CID 138007923) is [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone is CNc1ccc(C(=O)N2CC(Cc3ccoc3)C2)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is YLSSBVSPHNQHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-13-2-3-14(15(17)7-13)16(20)19-8-12(9-19)6-11-4-5-21-10-11/h2-5,7,10,12,18H,6,8-9H2,1H3.
What are the key properties of [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone?
[2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(methylamino)phenyl]-[3-(furan-3-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 138007923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).