(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide

C13H14Cl2N2O — CID 170877783

IUPAC(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(Cl)c(N2CCCC2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-10-7-9(3-4-12(16)18)8-11(15)13(10)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,16,18)/b4-3-
InChIKeyDASKJLUDCXLHNI-ARJAWSKDSA-N
MW285.17 g/mol
LogP3.09
Rot. Bonds3

About (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide

(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide (PubChem CID 170877783) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
PubChem CID170877783
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(Cl)c(N2CCCC2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-10-7-9(3-4-12(16)18)8-11(15)13(10)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,16,18)/b4-3-
InChIKeyDASKJLUDCXLHNI-ARJAWSKDSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)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

(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877760
3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 165346678
3-(3-amino-5-chlorophenyl)prop-2-enamide
CID 169481525
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(E)-3-[4-(azocan-1-yl)-3-chlorophenyl]prop-2-enoic acid
CID 81155154
(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170876700
(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
CID 170876950
2-(azepan-1-yl)-3,5-dichlorobenzoic acid
CID 79687478
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
3-[4-(azepan-1-yl)-3,5-difluorophenyl]prop-2-enoic acid
CID 76983576

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide (CID 170877783) is (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide is NC(=O)/C=C\c1cc(Cl)c(N2CCCC2)c(Cl)c1.
What is the InChIKey of (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The InChIKey is DASKJLUDCXLHNI-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-10-7-9(3-4-12(16)18)8-11(15)13(10)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,16,18)/b4-3-.
What are the key properties of (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide has a molecular weight of 285.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).