4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide

C14H12FIN2O — CID 63188157

IUPAC4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H12FIN2O/c1-8-6-10(16)3-5-13(8)18-14(19)9-2-4-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFCUDFLYVLSTUIV-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.57
Rot. Bonds2

About 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide

4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 63188157) has the molecular formula C14H12FIN2O and a molecular weight of 370.17 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID63188157
Molecular FormulaC14H12FIN2O
Molecular Weight370.17 g/mol
Exact Mass370.00
IUPAC Name4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H12FIN2O/c1-8-6-10(16)3-5-13(8)18-14(19)9-2-4-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFCUDFLYVLSTUIV-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.57
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

4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide (CID 63188157) is 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is FCUDFLYVLSTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O/c1-8-6-10(16)3-5-13(8)18-14(19)9-2-4-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 370.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 63188157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).