N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide

C15H14ClIN2O — CID 103218699

IUPACN-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1N
InChIInChI=1S/C15H14ClIN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyDJCOBOMGTCSSOM-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.34
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide

N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide (PubChem CID 103218699) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
PubChem CID103218699
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC NameN-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1N
InChIInChI=1S/C15H14ClIN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyDJCOBOMGTCSSOM-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.34
H-Bond Donors ≤ 52
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-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide (CID 103218699) is N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide is CCc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide?
The InChIKey is DJCOBOMGTCSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide?
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide has a molecular weight of 400.65 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103218699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).