N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide

C17H15ClFIN2O2 — CID 55861961

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1I)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFIN2O2/c18-11-3-6-13(7-4-11)22-16(23)2-1-9-21-17(24)14-8-5-12(19)10-15(14)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyGOUIEIZKGOZKAS-UHFFFAOYSA-N
MW460.67 g/mol
LogP4.23
Rot. Bonds6

About N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide

N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide (PubChem CID 55861961) has the molecular formula C17H15ClFIN2O2 and a molecular weight of 460.67 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide
PubChem CID55861961
Molecular FormulaC17H15ClFIN2O2
Molecular Weight460.67 g/mol
Exact Mass459.99
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1I)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFIN2O2/c18-11-3-6-13(7-4-11)22-16(23)2-1-9-21-17(24)14-8-5-12(19)10-15(14)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyGOUIEIZKGOZKAS-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.67
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
methyl 4-[(4-fluoro-2-iodobenzoyl)amino]butanoate
CID 39704784
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
N-[4-(4-chloroanilino)-4-oxobutyl]-3,5-bis(trifluoromethyl)benzamide
CID 46225306
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide (CID 55861961) is N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide is O=C(CCCNC(=O)c1ccc(F)cc1I)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide?
The InChIKey is GOUIEIZKGOZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFIN2O2/c18-11-3-6-13(7-4-11)22-16(23)2-1-9-21-17(24)14-8-5-12(19)10-15(14)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide has a molecular weight of 460.67 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 55861961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).