(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide

C15H17ClN2O2 — CID 132579335

IUPAC(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NC(NC(=O)/C=C/C)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-7-13(19)17-15(18-14(20)8-4-2)11-9-5-6-10-12(11)16/h3-10,15H,1-2H3,(H,17,19)(H,18,20)/b7-3+,8-4+
InChIKeyNXMOWHPMDHEFOO-FCXRPNKRSA-N
MW292.77 g/mol
LogP2.72
Rot. Bonds5

About (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide

(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide (PubChem CID 132579335) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
PubChem CID132579335
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NC(NC(=O)/C=C/C)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-7-13(19)17-15(18-14(20)8-4-2)11-9-5-6-10-12(11)16/h3-10,15H,1-2H3,(H,17,19)(H,18,20)/b7-3+,8-4+
InChIKeyNXMOWHPMDHEFOO-FCXRPNKRSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-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

(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
CID 47101745
N-benzhydrylbut-2-enamide
CID 78906490
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 4274954
(E)-1-(2-chlorophenyl)but-2-en-1-one
CID 6158987
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
N-[cyano-(2,3-dichlorophenyl)methyl]hexa-2,4-dienamide
CID 72689361
(2S)-2-(but-2-enoylamino)-3-phenylpropanoic acid
CID 54470375
(2R,3S)-3-acetamido-3-(2-chlorophenyl)-2-hydroxypropanoic acid
CID 68917619
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
N-[(2-fluorophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526936
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide (CID 132579335) is (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide is C/C=C/C(=O)NC(NC(=O)/C=C/C)c1ccccc1Cl.
What is the InChIKey of (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide?
The InChIKey is NXMOWHPMDHEFOO-FCXRPNKRSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-7-13(19)17-15(18-14(20)8-4-2)11-9-5-6-10-12(11)16/h3-10,15H,1-2H3,(H,17,19)(H,18,20)/b7-3+,8-4+.
What are the key properties of (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide?
(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide has a molecular weight of 292.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide is sourced from PubChem (CID 132579335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).