N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide

C15H14Cl2N2O2 — CID 60999928

IUPACN-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(18)6-14(9)19-15(20)8-21-11-4-5-12(16)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyKSMPYKJCDIIIRN-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.90
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide

N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 60999928) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
PubChem CID60999928
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(18)6-14(9)19-15(20)8-21-11-4-5-12(16)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyKSMPYKJCDIIIRN-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.90
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-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(5-amino-2-methylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 28537130
N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide (CID 60999928) is N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide is Cc1ccc(N)cc1NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is KSMPYKJCDIIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(18)6-14(9)19-15(20)8-21-11-4-5-12(16)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide?
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 325.20 g/mol, XLogP of 3.90, 4 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)-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 60999928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).