3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide

C16H16FIN2O — CID 43789078

IUPAC3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C16H16FIN2O/c1-9-14(17)7-12(16(19)21)8-15(9)20-10(2)11-3-5-13(18)6-4-11/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyFTALPOZQNWVWOK-UHFFFAOYSA-N
MW398.22 g/mol
LogP4.01
Rot. Bonds4

About 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide

3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide (PubChem CID 43789078) has the molecular formula C16H16FIN2O and a molecular weight of 398.22 g/mol. Its IUPAC name is 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
PubChem CID43789078
Molecular FormulaC16H16FIN2O
Molecular Weight398.22 g/mol
Exact Mass398.03
IUPAC Name3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C16H16FIN2O/c1-9-14(17)7-12(16(19)21)8-15(9)20-10(2)11-3-5-13(18)6-4-11/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyFTALPOZQNWVWOK-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43735801
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
CID 43735773
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide?
The IUPAC name of 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide (CID 43789078) is 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(C)c1ccc(I)cc1.
What is the InChIKey of 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide?
The InChIKey is FTALPOZQNWVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O/c1-9-14(17)7-12(16(19)21)8-15(9)20-10(2)11-3-5-13(18)6-4-11/h3-8,10,20H,1-2H3,(H2,19,21).
What are the key properties of 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide?
3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide has a molecular weight of 398.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide is sourced from PubChem (CID 43789078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).