N-(3-aminophenyl)-3-iodo-N-propylbenzamide

C16H17IN2O — CID 63229988

IUPACN-(3-aminophenyl)-3-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(I)c1)c1cccc(N)c1
InChIInChI=1S/C16H17IN2O/c1-2-9-19(15-8-4-7-14(18)11-15)16(20)12-5-3-6-13(17)10-12/h3-8,10-11H,2,9,18H2,1H3
InChIKeyBXPTXUKFQSOUHZ-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.93
Rot. Bonds4

About N-(3-aminophenyl)-3-iodo-N-propylbenzamide

N-(3-aminophenyl)-3-iodo-N-propylbenzamide (PubChem CID 63229988) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-iodo-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-iodo-N-propylbenzamide
PubChem CID63229988
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-(3-aminophenyl)-3-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(I)c1)c1cccc(N)c1
InChIInChI=1S/C16H17IN2O/c1-2-9-19(15-8-4-7-14(18)11-15)16(20)12-5-3-6-13(17)10-12/h3-8,10-11H,2,9,18H2,1H3
InChIKeyBXPTXUKFQSOUHZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-iodo-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-3-iodo-N-propylbenzamide (CID 63229988) is N-(3-aminophenyl)-3-iodo-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-3-iodo-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-3-iodo-N-propylbenzamide is CCCN(C(=O)c1cccc(I)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-iodo-N-propylbenzamide?
The InChIKey is BXPTXUKFQSOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-2-9-19(15-8-4-7-14(18)11-15)16(20)12-5-3-6-13(17)10-12/h3-8,10-11H,2,9,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-iodo-N-propylbenzamide?
N-(3-aminophenyl)-3-iodo-N-propylbenzamide has a molecular weight of 380.23 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-iodo-N-propylbenzamide is sourced from PubChem (CID 63229988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).