N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide

C16H17IN2O — CID 43458930

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H17IN2O/c1-2-19(11-12-4-3-5-15(18)10-12)16(20)13-6-8-14(17)9-7-13/h3-10H,2,11,18H2,1H3
InChIKeyVWFVSNHXFLCBID-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.54
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide

N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide (PubChem CID 43458930) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
PubChem CID43458930
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H17IN2O/c1-2-19(11-12-4-3-5-15(18)10-12)16(20)13-6-8-14(17)9-7-13/h3-10H,2,11,18H2,1H3
InChIKeyVWFVSNHXFLCBID-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide (CID 43458930) is N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide is CCN(Cc1cccc(N)c1)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide?
The InChIKey is VWFVSNHXFLCBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-2-19(11-12-4-3-5-15(18)10-12)16(20)13-6-8-14(17)9-7-13/h3-10H,2,11,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide?
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide has a molecular weight of 380.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide is sourced from PubChem (CID 43458930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).