N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide

C12H10ClFN2OS — CID 114244691

IUPACN-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
SMILESCc1c(N)ccc(F)c1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c1-6-9(15)3-2-8(14)10(6)16-12(17)11-7(13)4-5-18-11/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHVDQXDRMTXJJPR-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.68
Rot. Bonds2

About N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide

N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide (PubChem CID 114244691) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
PubChem CID114244691
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
SMILESCc1c(N)ccc(F)c1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c1-6-9(15)3-2-8(14)10(6)16-12(17)11-7(13)4-5-18-11/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHVDQXDRMTXJJPR-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide
CID 114244707
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645311
N-(3-amino-4-pyridinyl)-3-chlorothiophene-2-carboxamide
CID 80644738
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 107048425
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
CID 107596209

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide (CID 114244691) is N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide is Cc1c(N)ccc(F)c1NC(=O)c1sccc1Cl.
What is the InChIKey of N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is HVDQXDRMTXJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-6-9(15)3-2-8(14)10(6)16-12(17)11-7(13)4-5-18-11/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide?
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 114244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).