N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide

C10H10BrCl2NOS — CID 78879991

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H10BrCl2NOS/c1-14(4-7-2-6(11)5-16-7)9(15)8-3-10(8,12)13/h2,5,8H,3-4H2,1H3
InChIKeyAXPTYEXGEKYPRX-UHFFFAOYSA-N
MW343.07 g/mol
LogP3.66
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide (PubChem CID 78879991) has the molecular formula C10H10BrCl2NOS and a molecular weight of 343.07 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide
PubChem CID78879991
Molecular FormulaC10H10BrCl2NOS
Molecular Weight343.07 g/mol
Exact Mass340.90
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H10BrCl2NOS/c1-14(4-7-2-6(11)5-16-7)9(15)8-3-10(8,12)13/h2,5,8H,3-4H2,1H3
InChIKeyAXPTYEXGEKYPRX-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-oxocyclohexane-1-carboxamide
CID 115150459
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
CID 66239265
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide (CID 78879991) is N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide is CN(Cc1cc(Br)cs1)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The InChIKey is AXPTYEXGEKYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NOS/c1-14(4-7-2-6(11)5-16-7)9(15)8-3-10(8,12)13/h2,5,8H,3-4H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide has a molecular weight of 343.07 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2,2-dichloro-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78879991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).