N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide

C13H13FNOPS — CID 135292739

IUPACN-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(P)c(F)c2)c(C)s1
InChIInChI=1S/C13H13FNOPS/c1-7-5-10(8(2)18-7)13(16)15-9-3-4-12(17)11(14)6-9/h3-6H,17H2,1-2H3,(H,15,16)
InChIKeyNRSHDGFWAKTOFP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.26
Rot. Bonds2

About N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide

N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 135292739) has the molecular formula C13H13FNOPS and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID135292739
Molecular FormulaC13H13FNOPS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC NameN-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(P)c(F)c2)c(C)s1
InChIInChI=1S/C13H13FNOPS/c1-7-5-10(8(2)18-7)13(16)15-9-3-4-12(17)11(14)6-9/h3-6H,17H2,1-2H3,(H,15,16)
InChIKeyNRSHDGFWAKTOFP-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740
4-[(3,4-difluorophenyl)carbamoyl]-5-methylthiophene-2-sulfinic acid
CID 135283853
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide (CID 135292739) is N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc(P)c(F)c2)c(C)s1.
What is the InChIKey of N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is NRSHDGFWAKTOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FNOPS/c1-7-5-10(8(2)18-7)13(16)15-9-3-4-12(17)11(14)6-9/h3-6H,17H2,1-2H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 135292739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).