(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

C20H21Cl2N3O — CID 108828978

IUPAC(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c21-16-1-2-18(17(22)6-16)25-19(26)15(10-23)11-24-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14,24H,3-5,7-9H2,(H,25,26)/b15-11-
InChIKeyBDRSIJMXWWLEIC-PTNGSMBKSA-N
MW390.31 g/mol
LogP4.90
Rot. Bonds4

About (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 108828978) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID108828978
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c21-16-1-2-18(17(22)6-16)25-19(26)15(10-23)11-24-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14,24H,3-5,7-9H2,(H,25,26)/b15-11-
InChIKeyBDRSIJMXWWLEIC-PTNGSMBKSA-N
XLogP4.90
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)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-(1-adamantylamino)-N-(5-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 108850151
(Z)-3-(1-adamantylamino)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
CID 108853871
(Z)-3-(1-adamantylamino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817058
2-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]acetic acid
CID 108828792
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108828865
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108828864
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108828729
(Z)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828832
4-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]butanoic acid
CID 108828797
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 7969380
2-cyano-N-(2,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 4565061

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide (CID 108828978) is (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide is N#C/C(=C/NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is BDRSIJMXWWLEIC-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-16-1-2-18(17(22)6-16)25-19(26)15(10-23)11-24-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14,24H,3-5,7-9H2,(H,25,26)/b15-11-.
What are the key properties of (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 390.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108828978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).