N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide

C15H16FIN2OS — CID 79691661

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2csc(I)c2)cc1F
InChIInChI=1S/C15H16FIN2OS/c1-9(2)19(3)13-5-4-11(7-12(13)16)18-15(20)10-6-14(17)21-8-10/h4-9H,1-3H3,(H,18,20)
InChIKeyMGCVZGYZLLISNQ-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.59
Rot. Bonds4

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide (PubChem CID 79691661) has the molecular formula C15H16FIN2OS and a molecular weight of 418.28 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide
PubChem CID79691661
Molecular FormulaC15H16FIN2OS
Molecular Weight418.28 g/mol
Exact Mass418.00
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2csc(I)c2)cc1F
InChIInChI=1S/C15H16FIN2OS/c1-9(2)19(3)13-5-4-11(7-12(13)16)18-15(20)10-6-14(17)21-8-10/h4-9H,1-3H3,(H,18,20)
InChIKeyMGCVZGYZLLISNQ-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71893209
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56568073
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide (CID 79691661) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide is CC(C)N(C)c1ccc(NC(=O)c2csc(I)c2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide?
The InChIKey is MGCVZGYZLLISNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIN2OS/c1-9(2)19(3)13-5-4-11(7-12(13)16)18-15(20)10-6-14(17)21-8-10/h4-9H,1-3H3,(H,18,20).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide has a molecular weight of 418.28 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79691661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).