N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide

C16H17ClN2O2 — CID 28516547

IUPACN-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-5-6-13(18)10-15(11)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeySMJQPNIDSLUAII-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide

N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide (PubChem CID 28516547) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
PubChem CID28516547
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-5-6-13(18)10-15(11)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeySMJQPNIDSLUAII-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 55766234
N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120568903
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide (CID 28516547) is N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide is Cc1ccc(N)cc1NC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide?
The InChIKey is SMJQPNIDSLUAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-5-6-13(18)10-15(11)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide?
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 28516547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).