N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide

C16H17ClN2O2 — CID 62229280

IUPACN-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-10-8-13(6-7-15(10)18)19-16(20)11(2)21-14-5-3-4-12(17)9-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWWOTXNVENOZFRR-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds4

About N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide

N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 62229280) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID62229280
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-10-8-13(6-7-15(10)18)19-16(20)11(2)21-14-5-3-4-12(17)9-14/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWWOTXNVENOZFRR-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)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
ethyl 2-chloro-4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoate
CID 92685751
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide (CID 62229280) is N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide is Cc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is WWOTXNVENOZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-8-13(6-7-15(10)18)19-16(20)11(2)21-14-5-3-4-12(17)9-14/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)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-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 62229280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).