N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide

C10H11BrFNOS — CID 130855560

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CC1F
InChIInChI=1S/C10H11BrFNOS/c1-10(4-7(10)12)9(14)13-5-6-2-3-8(11)15-6/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyBPUYFQASNYGEPP-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.87
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130855560) has the molecular formula C10H11BrFNOS and a molecular weight of 292.17 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130855560
Molecular FormulaC10H11BrFNOS
Molecular Weight292.17 g/mol
Exact Mass290.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CC1F
InChIInChI=1S/C10H11BrFNOS/c1-10(4-7(10)12)9(14)13-5-6-2-3-8(11)15-6/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyBPUYFQASNYGEPP-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 81489561
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
N-[(3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168951037
5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 72101788
2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2887301
N-allyl-5-bromothiophene-2-carboxamide
CID 4295906
2,2-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 17285094
5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 4186509

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130855560) is N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2ccc(Br)s2)CC1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is BPUYFQASNYGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNOS/c1-10(4-7(10)12)9(14)13-5-6-2-3-8(11)15-6/h2-3,7H,4-5H2,1H3,(H,13,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 292.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130855560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).