2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide

C16H22ClNO2 — CID 166424104

IUPAC2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCc1cccc(CN(CC2CC(O)C2)C(=O)CCl)c1C
InChIInChI=1S/C16H22ClNO2/c1-11-4-3-5-14(12(11)2)10-18(16(20)8-17)9-13-6-15(19)7-13/h3-5,13,15,19H,6-10H2,1-2H3
InChIKeyDHUCQYHSWLFLOC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.64
Rot. Bonds5

About 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide

2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide (PubChem CID 166424104) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
PubChem CID166424104
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCc1cccc(CN(CC2CC(O)C2)C(=O)CCl)c1C
InChIInChI=1S/C16H22ClNO2/c1-11-4-3-5-14(12(11)2)10-18(16(20)8-17)9-13-6-15(19)7-13/h3-5,13,15,19H,6-10H2,1-2H3
InChIKeyDHUCQYHSWLFLOC-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide (CID 166424104) is 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide is Cc1cccc(CN(CC2CC(O)C2)C(=O)CCl)c1C.
What is the InChIKey of 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is DHUCQYHSWLFLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-4-3-5-14(12(11)2)10-18(16(20)8-17)9-13-6-15(19)7-13/h3-5,13,15,19H,6-10H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 166424104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).