N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide

C16H17ClN2O3 — CID 50878679

IUPACN-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N
InChIInChI=1S/C16H17ClN2O3/c1-10-7-11(17)3-5-14(10)22-9-16(20)19-12-4-6-15(21-2)13(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyHPKRUOWQRBZDPF-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.26
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 50878679) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID50878679
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N
InChIInChI=1S/C16H17ClN2O3/c1-10-7-11(17)3-5-14(10)22-9-16(20)19-12-4-6-15(21-2)13(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyHPKRUOWQRBZDPF-UHFFFAOYSA-N
XLogP3.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
tert-butyl N-[5-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methoxyphenyl]carbamate
CID 55655005
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 50878679) is N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is HPKRUOWQRBZDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-7-11(17)3-5-14(10)22-9-16(20)19-12-4-6-15(21-2)13(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 320.78 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 50878679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).