N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide

C16H17ClN2O2 — CID 43364367

IUPACN-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-8-14(17)15(9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyLVBGUGQPZBOPFT-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide

N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide (PubChem CID 43364367) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
PubChem CID43364367
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-8-14(17)15(9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyLVBGUGQPZBOPFT-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide 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

(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160353
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide (CID 43364367) is N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide?
The InChIKey is LVBGUGQPZBOPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-3-8-14(17)15(9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide?
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide is sourced from PubChem (CID 43364367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).