N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H13BrClNO — CID 103578310

IUPACN-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H13BrClNO/c1-12(2)6-7(12)11(16)15-9-5-3-4-8(14)10(9)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyLFOVTFFDCDSACL-UHFFFAOYSA-N
MW302.60 g/mol
LogP4.09
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103578310) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103578310
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC NameN-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H13BrClNO/c1-12(2)6-7(12)11(16)15-9-5-3-4-8(14)10(9)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyLFOVTFFDCDSACL-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841304
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107800827
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103578310) is N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is LFOVTFFDCDSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-12(2)6-7(12)11(16)15-9-5-3-4-8(14)10(9)13/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 302.60 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103578310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).