N-(3-amino-4-methoxyphenyl)-3-iodobenzamide

C14H13IN2O2 — CID 43599948

IUPACN-(3-amino-4-methoxyphenyl)-3-iodobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(I)c2)cc1N
InChIInChI=1S/C14H13IN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyGONZBJNOPMKXIK-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.13
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-3-iodobenzamide

N-(3-amino-4-methoxyphenyl)-3-iodobenzamide (PubChem CID 43599948) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-iodobenzamide
PubChem CID43599948
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-iodobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(I)c2)cc1N
InChIInChI=1S/C14H13IN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyGONZBJNOPMKXIK-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-iodobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-iodobenzamide (CID 43599948) is N-(3-amino-4-methoxyphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-iodobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-iodobenzamide is COc1ccc(NC(=O)c2cccc(I)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-iodobenzamide?
The InChIKey is GONZBJNOPMKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-iodobenzamide?
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide has a molecular weight of 368.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-iodobenzamide is sourced from PubChem (CID 43599948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).