N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide

C13H16ClN3O2 — CID 108904818

IUPACN-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-10(18)17(9-7-15)13(19)16-8-6-11-4-2-3-5-12(11)14/h2-6,8H,7,9,15H2,1H3,(H,16,19)/b8-6+
InChIKeyHNVCEQQJIHBWPL-SOFGYWHQSA-N
MW281.74 g/mol
LogP1.83
Rot. Bonds4

About N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide

N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide (PubChem CID 108904818) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
PubChem CID108904818
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-10(18)17(9-7-15)13(19)16-8-6-11-4-2-3-5-12(11)14/h2-6,8H,7,9,15H2,1H3,(H,16,19)/b8-6+
InChIKeyHNVCEQQJIHBWPL-SOFGYWHQSA-N
XLogP1.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide 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

1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
CID 108904820
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
CID 108904741
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
CID 108869300
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide (CID 108904818) is N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide is CC(=O)N(CCN)C(=O)N/C=C/c1ccccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide?
The InChIKey is HNVCEQQJIHBWPL-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-10(18)17(9-7-15)13(19)16-8-6-11-4-2-3-5-12(11)14/h2-6,8H,7,9,15H2,1H3,(H,16,19)/b8-6+.
What are the key properties of N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide?
N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide is sourced from PubChem (CID 108904818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).