N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide

C16H21ClN2O — CID 67775255

IUPACN-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C(CN1CCC1)C1CC1
InChIInChI=1S/C16H21ClN2O/c1-18(16(20)13-5-7-14(17)8-6-13)15(12-3-4-12)11-19-9-2-10-19/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyDHBIWDAACOMNKA-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide

N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide (PubChem CID 67775255) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
PubChem CID67775255
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C(CN1CCC1)C1CC1
InChIInChI=1S/C16H21ClN2O/c1-18(16(20)13-5-7-14(17)8-6-13)15(12-3-4-12)11-19-9-2-10-19/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyDHBIWDAACOMNKA-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide (CID 67775255) is N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)C(CN1CCC1)C1CC1.
What is the InChIKey of N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide?
The InChIKey is DHBIWDAACOMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-18(16(20)13-5-7-14(17)8-6-13)15(12-3-4-12)11-19-9-2-10-19/h5-8,12,15H,2-4,9-11H2,1H3.
What are the key properties of N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide?
N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide has a molecular weight of 292.81 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 67775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).