N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H14BrNO — CID 103837156

IUPACN-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-12(2)7-10(12)11(15)14-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyOTEMLUGJONNUPZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.43
Rot. Bonds2

About N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103837156) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103837156
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-12(2)7-10(12)11(15)14-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyOTEMLUGJONNUPZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130164401
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 1120968
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3-bromophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
CID 139526446
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517303
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
N-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134157564
N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522496
trans-(1S,3R)-3-[(3-bromophenyl)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 51921818
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103837156) is N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is OTEMLUGJONNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2)7-10(12)11(15)14-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 268.15 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103837156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).