N-[2-(aminomethyl)phenyl]-2-iodobenzamide

C14H13IN2O — CID 64882136

IUPACN-[2-(aminomethyl)phenyl]-2-iodobenzamide
SMILESNCc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-12-7-3-2-6-11(12)14(18)17-13-8-4-1-5-10(13)9-16/h1-8H,9,16H2,(H,17,18)
InChIKeyRKGIYBMHTAWLRQ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-2-iodobenzamide

N-[2-(aminomethyl)phenyl]-2-iodobenzamide (PubChem CID 64882136) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-iodobenzamide
PubChem CID64882136
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC NameN-[2-(aminomethyl)phenyl]-2-iodobenzamide
SMILESNCc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-12-7-3-2-6-11(12)14(18)17-13-8-4-1-5-10(13)9-16/h1-8H,9,16H2,(H,17,18)
InChIKeyRKGIYBMHTAWLRQ-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-iodobenzamide (CID 64882136) is N-[2-(aminomethyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-iodobenzamide is NCc1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-iodobenzamide?
The InChIKey is RKGIYBMHTAWLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-12-7-3-2-6-11(12)14(18)17-13-8-4-1-5-10(13)9-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-iodobenzamide?
N-[2-(aminomethyl)phenyl]-2-iodobenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 64882136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).