3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide

C15H17Cl2NO2 — CID 77109035

IUPAC3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
SMILESCN(CC1CC(O)C1)C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-18(9-10-7-12(19)8-10)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-6,10,12,19H,7-9H2,1H3
InChIKeySNHLMQSCYXXWAL-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.24
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide

3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide (PubChem CID 77109035) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
PubChem CID77109035
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
SMILESCN(CC1CC(O)C1)C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-18(9-10-7-12(19)8-10)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-6,10,12,19H,7-9H2,1H3
InChIKeySNHLMQSCYXXWAL-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76940070
3-(3-chloro-4-methylphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109120
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109926
(E)-3-(2,3-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 39972101
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(2,3-dichlorophenyl)-N-methylprop-2-enamide
CID 9392949
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dihydroxypyrrolidin-1-yl)prop-2-en-1-one
CID 106671313
3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109122
3-[3-[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77109100
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-nitrobenzamide
CID 115541164

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide (CID 77109035) is 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide is CN(CC1CC(O)C1)C(=O)C=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The InChIKey is SNHLMQSCYXXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-18(9-10-7-12(19)8-10)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-6,10,12,19H,7-9H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide has a molecular weight of 314.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 77109035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).