4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide

C15H12FIN6O — CID 10216768

IUPAC4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C15H12FIN6O/c1-8-6-10(17)3-5-12(8)18-13-7-9(16)2-4-11(13)14(24)19-15-20-22-23-21-15/h2-7,18H,1H3,(H2,19,20,21,22,23,24)
InChIKeyKYPCIWQNEIGNMW-UHFFFAOYSA-N
MW438.20 g/mol
LogP3.25
Rot. Bonds4

About 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide

4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 10216768) has the molecular formula C15H12FIN6O and a molecular weight of 438.20 g/mol. Its IUPAC name is 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
PubChem CID10216768
Molecular FormulaC15H12FIN6O
Molecular Weight438.20 g/mol
Exact Mass438.01
IUPAC Name4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C15H12FIN6O/c1-8-6-10(17)3-5-12(8)18-13-7-9(16)2-4-11(13)14(24)19-15-20-22-23-21-15/h2-7,18H,1H3,(H2,19,20,21,22,23,24)
InChIKeyKYPCIWQNEIGNMW-UHFFFAOYSA-N
XLogP3.25
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10173990
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701
4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 70532578
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22285937
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 59696627
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 112774643
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide (CID 10216768) is 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide is Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KYPCIWQNEIGNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN6O/c1-8-6-10(17)3-5-12(8)18-13-7-9(16)2-4-11(13)14(24)19-15-20-22-23-21-15/h2-7,18H,1H3,(H2,19,20,21,22,23,24).
What are the key properties of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide?
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 438.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10216768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).