2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide

C16H15ClFIN2O3 — CID 10205117

IUPAC2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
SMILESO=C(NOCCCO)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H15ClFIN2O3/c17-13-9-11(19)3-5-14(13)20-15-8-10(18)2-4-12(15)16(23)21-24-7-1-6-22/h2-5,8-9,20,22H,1,6-7H2,(H,21,23)
InChIKeyOLTJOKGXRQIKDW-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.87
Rot. Bonds7

About 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide

2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide (PubChem CID 10205117) has the molecular formula C16H15ClFIN2O3 and a molecular weight of 464.66 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
PubChem CID10205117
Molecular FormulaC16H15ClFIN2O3
Molecular Weight464.66 g/mol
Exact Mass463.98
IUPAC Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
SMILESO=C(NOCCCO)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H15ClFIN2O3/c17-13-9-11(19)3-5-14(13)20-15-8-10(18)2-4-12(15)16(23)21-24-7-1-6-22/h2-5,8-9,20,22H,1,6-7H2,(H,21,23)
InChIKeyOLTJOKGXRQIKDW-UHFFFAOYSA-N
XLogP3.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 22286560
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamide
CID 10120406
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 22286043
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
CID 22286580
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide (CID 10205117) is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide is O=C(NOCCCO)c1ccc(F)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide?
The InChIKey is OLTJOKGXRQIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFIN2O3/c17-13-9-11(19)3-5-14(13)20-15-8-10(18)2-4-12(15)16(23)21-24-7-1-6-22/h2-5,8-9,20,22H,1,6-7H2,(H,21,23).
What are the key properties of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide?
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide has a molecular weight of 464.66 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide is sourced from PubChem (CID 10205117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).