3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

C15H17Cl2NO2 — CID 77022002

IUPAC3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NCC1(O)CCCC1
InChIInChI=1S/C15H17Cl2NO2/c16-12-5-3-11(9-13(12)17)4-6-14(19)18-10-15(20)7-1-2-8-15/h3-6,9,20H,1-2,7-8,10H2,(H,18,19)
InChIKeyBHWUQBHZZJTICR-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.43
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 77022002) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID77022002
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NCC1(O)CCCC1
InChIInChI=1S/C15H17Cl2NO2/c16-12-5-3-11(9-13(12)17)4-6-14(19)18-10-15(20)7-1-2-8-15/h3-6,9,20H,1-2,7-8,10H2,(H,18,19)
InChIKeyBHWUQBHZZJTICR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-[(1-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77054081
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
N-[(1-hydroxycycloheptyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 77056779
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1-hydroxycyclobutyl)methyl]prop-2-enamide
CID 115643334
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338
(E)-3-(3-chloro-4-methylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide
CID 103849541
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111333114
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
3-(4-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]prop-2-enamide
CID 77056877

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (CID 77022002) is 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)NCC1(O)CCCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is BHWUQBHZZJTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-12-5-3-11(9-13(12)17)4-6-14(19)18-10-15(20)7-1-2-8-15/h3-6,9,20H,1-2,7-8,10H2,(H,18,19).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 314.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 77022002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).