2-amino-5-(3-methoxyanilino)benzamide

C14H15N3O2 — CID 61307103

IUPAC2-amino-5-(3-methoxyanilino)benzamide
SMILESCOc1cccc(Nc2ccc(N)c(C(N)=O)c2)c1
InChIInChI=1S/C14H15N3O2/c1-19-11-4-2-3-9(7-11)17-10-5-6-13(15)12(8-10)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyOTMKPLFATJUBAW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-5-(3-methoxyanilino)benzamide

2-amino-5-(3-methoxyanilino)benzamide (PubChem CID 61307103) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-5-(3-methoxyanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(3-methoxyanilino)benzamide
PubChem CID61307103
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-5-(3-methoxyanilino)benzamide
SMILESCOc1cccc(Nc2ccc(N)c(C(N)=O)c2)c1
InChIInChI=1S/C14H15N3O2/c1-19-11-4-2-3-9(7-11)17-10-5-6-13(15)12(8-10)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyOTMKPLFATJUBAW-UHFFFAOYSA-N
XLogP2.12
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
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

2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
2-amino-5-(2-cyano-6-methoxyanilino)benzamide
CID 107469623
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methoxyanilino)benzamide?
The IUPAC name of 2-amino-5-(3-methoxyanilino)benzamide (CID 61307103) is 2-amino-5-(3-methoxyanilino)benzamide.
What is the SMILES notation for 2-amino-5-(3-methoxyanilino)benzamide?
The canonical SMILES for 2-amino-5-(3-methoxyanilino)benzamide is COc1cccc(Nc2ccc(N)c(C(N)=O)c2)c1.
What is the InChIKey of 2-amino-5-(3-methoxyanilino)benzamide?
The InChIKey is OTMKPLFATJUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-4-2-3-9(7-11)17-10-5-6-13(15)12(8-10)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-5-(3-methoxyanilino)benzamide?
2-amino-5-(3-methoxyanilino)benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methoxyanilino)benzamide is sourced from PubChem (CID 61307103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).