N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide

C11H11BrClNO — CID 81271769

IUPACN-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClNO/c1-6-4-8(6)11(15)14-10-5-7(13)2-3-9(10)12/h2-3,5-6,8H,4H2,1H3,(H,14,15)
InChIKeyPBPZKUGGVUDHRJ-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.70
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide

N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 81271769) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID81271769
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClNO/c1-6-4-8(6)11(15)14-10-5-7(13)2-3-9(10)12/h2-3,5-6,8H,4H2,1H3,(H,14,15)
InChIKeyPBPZKUGGVUDHRJ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,6R)-6-[(2-bromo-5-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103775279
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
CID 81271143
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391211
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 103891112
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide (CID 81271769) is N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is PBPZKUGGVUDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-6-4-8(6)11(15)14-10-5-7(13)2-3-9(10)12/h2-3,5-6,8H,4H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 288.57 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 81271769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).