3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide

C16H17N3O3 — CID 28867873

IUPAC3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H17N3O3/c1-10(20)18-13-5-3-4-11(8-13)16(21)19-14-7-6-12(17)9-15(14)22-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWIOCZZINFQDQPJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.49
Rot. Bonds4

About 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide

3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide (PubChem CID 28867873) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
PubChem CID28867873
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H17N3O3/c1-10(20)18-13-5-3-4-11(8-13)16(21)19-14-7-6-12(17)9-15(14)22-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWIOCZZINFQDQPJ-UHFFFAOYSA-N
XLogP2.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
3-benzamido-N-(2-methoxy-4-methylphenyl)benzamide
CID 5082074
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide?
The IUPAC name of 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide (CID 28867873) is 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide?
The canonical SMILES for 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide is COc1cc(N)ccc1NC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide?
The InChIKey is WIOCZZINFQDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(20)18-13-5-3-4-11(8-13)16(21)19-14-7-6-12(17)9-15(14)22-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide?
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide is sourced from PubChem (CID 28867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).