3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide

C15H17Cl2NO2 — CID 77125042

IUPAC3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)NCC1CCCC1O
InChIInChI=1S/C15H17Cl2NO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20)
InChIKeyULBYPPHFIQKBJC-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.28
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide

3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 77125042) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID77125042
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)NCC1CCCC1O
InChIInChI=1S/C15H17Cl2NO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20)
InChIKeyULBYPPHFIQKBJC-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-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-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
3-(3-chloro-4-methylphenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77050308
(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 115344347
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111464339
4-[(2-hydroxycyclopentyl)methylamino]-4-oxobut-2-enoic acid
CID 77125132
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471477
N-[(2-hydroxycyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77050229
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598
3-(6-chloro-2H-chromen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111471268
(E)-3-(1,3-benzothiazol-2-yl)-N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]prop-2-enamide
CID 95775249

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide (CID 77125042) is 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide is O=C(C=Cc1c(Cl)cccc1Cl)NCC1CCCC1O.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is ULBYPPHFIQKBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 314.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 77125042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).