N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide

C15H14FIN2O — CID 174541153

IUPACN-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN)c(I)c2)cc1F
InChIInChI=1S/C15H14FIN2O/c1-9-2-3-10(6-13(9)16)15(20)19-12-5-4-11(8-18)14(17)7-12/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOHAVSOSDKUOEMR-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide

N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide (PubChem CID 174541153) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide
PubChem CID174541153
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC NameN-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN)c(I)c2)cc1F
InChIInChI=1S/C15H14FIN2O/c1-9-2-3-10(6-13(9)16)15(20)19-12-5-4-11(8-18)14(17)7-12/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOHAVSOSDKUOEMR-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.45
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-N-(3-iodo-4-methylphenyl)-4-methylbenzamide;3-fluoro-4-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
CID 159302693
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide (CID 174541153) is N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CN)c(I)c2)cc1F.
What is the InChIKey of N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is OHAVSOSDKUOEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c1-9-2-3-10(6-13(9)16)15(20)19-12-5-4-11(8-18)14(17)7-12/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide?
N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 384.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-iodophenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 174541153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).