N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide

C14H15BrCl2N2O2 — CID 46563598

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C14H15BrCl2N2O2/c1-13(8-14(13,16)17)12(21)19(2)7-11(20)18-10-6-4-3-5-9(10)15/h3-6H,7-8H2,1-2H3,(H,18,20)
InChIKeyPTXGQNHJUNOMCQ-UHFFFAOYSA-N
MW394.10 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 46563598) has the molecular formula C14H15BrCl2N2O2 and a molecular weight of 394.10 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID46563598
Molecular FormulaC14H15BrCl2N2O2
Molecular Weight394.10 g/mol
Exact Mass391.97
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C14H15BrCl2N2O2/c1-13(8-14(13,16)17)12(21)19(2)7-11(20)18-10-6-4-3-5-9(10)15/h3-6H,7-8H2,1-2H3,(H,18,20)
InChIKeyPTXGQNHJUNOMCQ-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 51163473
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
(1S)-N-[(2-bromophenyl)carbamothioyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2375668
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-[2-(2-bromoanilino)-2-oxoethyl]-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide
CID 55997964
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide (CID 46563598) is N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is PTXGQNHJUNOMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2O2/c1-13(8-14(13,16)17)12(21)19(2)7-11(20)18-10-6-4-3-5-9(10)15/h3-6H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 394.10 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 46563598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).