N-(2-chlorophenyl)-3-(ethylamino)propanamide

C11H15ClN2O — CID 62832290

IUPACN-(2-chlorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-2-13-8-7-11(15)14-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyISUIJZINUDKPAL-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.28
Rot. Bonds5

About N-(2-chlorophenyl)-3-(ethylamino)propanamide

N-(2-chlorophenyl)-3-(ethylamino)propanamide (PubChem CID 62832290) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(ethylamino)propanamide
PubChem CID62832290
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chlorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-2-13-8-7-11(15)14-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyISUIJZINUDKPAL-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
N-(2-chlorophenyl)hexanamide
CID 4644560
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)octanamide
CID 2292983
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(ethylamino)propanamide (CID 62832290) is N-(2-chlorophenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(ethylamino)propanamide?
The InChIKey is ISUIJZINUDKPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-13-8-7-11(15)14-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-(2-chlorophenyl)-3-(ethylamino)propanamide?
N-(2-chlorophenyl)-3-(ethylamino)propanamide has a molecular weight of 226.71 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 62832290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).