N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide

C14H20ClN3O — CID 55140260

IUPACN-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
SMILESCN(CCNCC(=O)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyXHZWEBKYSZZITD-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.96
Rot. Bonds7

About N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide

N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide (PubChem CID 55140260) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
PubChem CID55140260
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
SMILESCN(CCNCC(=O)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyXHZWEBKYSZZITD-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]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

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62640663
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
N-(2-chlorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]acetamide
CID 62843980
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2-chlorophenyl)-2-[cyclopropyl-(1-ethylpiperidin-4-yl)amino]acetamide
CID 75393855
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63723980

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide (CID 55140260) is N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide is CN(CCNCC(=O)Nc1ccccc1Cl)C1CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The InChIKey is XHZWEBKYSZZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide is sourced from PubChem (CID 55140260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).