N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide

C16H17ClN2O2 — CID 43079181

IUPACN-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-12(17)6-7-15(10)21-11(2)16(20)19-14-5-3-4-13(18)9-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyNCOZUCTVSRXZIM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds4

About N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide

N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 43079181) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID43079181
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-12(17)6-7-15(10)21-11(2)16(20)19-14-5-3-4-13(18)9-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyNCOZUCTVSRXZIM-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide (CID 43079181) is N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is NCOZUCTVSRXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-8-12(17)6-7-15(10)21-11(2)16(20)19-14-5-3-4-13(18)9-14/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
N-(3-aminophenyl)-2-(4-chloro-2-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-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 43079181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).