N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide

C17H19IN2O — CID 43459852

IUPACN-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1ccccc1I
InChIInChI=1S/C17H19IN2O/c1-2-11-20(12-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10H,2,11-12,19H2,1H3
InChIKeyYPRQQIJMQAMINY-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.93
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide

N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide (PubChem CID 43459852) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
PubChem CID43459852
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1ccccc1I
InChIInChI=1S/C17H19IN2O/c1-2-11-20(12-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10H,2,11-12,19H2,1H3
InChIKeyYPRQQIJMQAMINY-UHFFFAOYSA-N
XLogP3.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.93
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-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 107959325
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
CID 106683116
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide (CID 43459852) is N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide is CCCN(Cc1ccccc1N)C(=O)c1ccccc1I.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide?
The InChIKey is YPRQQIJMQAMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-2-11-20(12-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10H,2,11-12,19H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide?
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide has a molecular weight of 394.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide is sourced from PubChem (CID 43459852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).