N-(2-amino-5-chlorophenyl)-2-ethylhexanamide

C14H21ClN2O — CID 43125435

IUPACN-(2-amino-5-chlorophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-10(4-2)14(18)17-13-9-11(15)7-8-12(13)16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyKFVLBRSGJRSCKR-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.08
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-2-ethylhexanamide

N-(2-amino-5-chlorophenyl)-2-ethylhexanamide (PubChem CID 43125435) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-ethylhexanamide
PubChem CID43125435
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(2-amino-5-chlorophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-10(4-2)14(18)17-13-9-11(15)7-8-12(13)16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyKFVLBRSGJRSCKR-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-ethylhexanamide 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

N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
CID 139792961
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylhexanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylhexanamide (CID 43125435) is N-(2-amino-5-chlorophenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-ethylhexanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-ethylhexanamide?
The InChIKey is KFVLBRSGJRSCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-5-6-10(4-2)14(18)17-13-9-11(15)7-8-12(13)16/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-ethylhexanamide?
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide has a molecular weight of 268.79 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-ethylhexanamide is sourced from PubChem (CID 43125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).