N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide

C21H18FIN2O2 — CID 174430701

IUPACN-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(F)cc1Nc1ccc(I)cc1C
InChIInChI=1S/C21H18FIN2O2/c1-13-11-15(23)8-10-17(13)24-19-12-14(22)7-9-18(19)25-21(26)16-5-3-4-6-20(16)27-2/h3-12,24H,1-2H3,(H,25,26)
InChIKeyGUVHXRAAVRKOPX-UHFFFAOYSA-N
MW476.29 g/mol
LogP5.74
Rot. Bonds5

About N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide

N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide (PubChem CID 174430701) has the molecular formula C21H18FIN2O2 and a molecular weight of 476.29 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
PubChem CID174430701
Molecular FormulaC21H18FIN2O2
Molecular Weight476.29 g/mol
Exact Mass476.04
IUPAC NameN-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(F)cc1Nc1ccc(I)cc1C
InChIInChI=1S/C21H18FIN2O2/c1-13-11-15(23)8-10-17(13)24-19-12-14(22)7-9-18(19)25-21(26)16-5-3-4-6-20(16)27-2/h3-12,24H,1-2H3,(H,25,26)
InChIKeyGUVHXRAAVRKOPX-UHFFFAOYSA-N
XLogP5.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.29
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
CID 139945309

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide (CID 174430701) is N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(F)cc1Nc1ccc(I)cc1C.
What is the InChIKey of N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide?
The InChIKey is GUVHXRAAVRKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FIN2O2/c1-13-11-15(23)8-10-17(13)24-19-12-14(22)7-9-18(19)25-21(26)16-5-3-4-6-20(16)27-2/h3-12,24H,1-2H3,(H,25,26).
What are the key properties of N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide?
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide has a molecular weight of 476.29 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 174430701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).