2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide

C13H17BrN2O — CID 70609542

IUPAC2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(C)CC2Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-13(8-11(13)14)12(17)15-9-4-6-10(7-5-9)16(2)3/h4-7,11H,8H2,1-3H3,(H,15,17)
InChIKeyAWVVIZDQEKTGBN-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.86
Rot. Bonds3

About 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide

2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 70609542) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID70609542
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(C)CC2Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-13(8-11(13)14)12(17)15-9-4-6-10(7-5-9)16(2)3/h4-7,11H,8H2,1-3H3,(H,15,17)
InChIKeyAWVVIZDQEKTGBN-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 70610859
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-carbamothioyl-N-[4-(dimethylamino)phenyl]-3-methylcyclobutane-1-carboxamide
CID 80589868
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
N-[4-(dimethylamino)phenyl]-1,2-dimethylpiperidine-2-carboxamide
CID 146152659
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
N'-(1-adamantyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527915
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide (CID 70609542) is 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide is CN(C)c1ccc(NC(=O)C2(C)CC2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is AWVVIZDQEKTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-13(8-11(13)14)12(17)15-9-4-6-10(7-5-9)16(2)3/h4-7,11H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 70609542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).