N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide

C16H20BrNO — CID 112745152

IUPACN-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
SMILESCC(Br)c1ccccc1NC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C16H20BrNO/c1-10(17)13-4-2-3-5-14(13)18-16(19)15(11-6-7-11)12-8-9-12/h2-5,10-12,15H,6-9H2,1H3,(H,18,19)
InChIKeyDIDPKBVZVTZEFH-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide

N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide (PubChem CID 112745152) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
PubChem CID112745152
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
SMILESCC(Br)c1ccccc1NC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C16H20BrNO/c1-10(17)13-4-2-3-5-14(13)18-16(19)15(11-6-7-11)12-8-9-12/h2-5,10-12,15H,6-9H2,1H3,(H,18,19)
InChIKeyDIDPKBVZVTZEFH-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidophenyl)-2,2-dicyclohexylacetamide
CID 11175727
N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894275
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
CID 114315425
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
CID 113271120
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 114032037
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide (CID 112745152) is N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide is CC(Br)c1ccccc1NC(=O)C(C1CC1)C1CC1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide?
The InChIKey is DIDPKBVZVTZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-10(17)13-4-2-3-5-14(13)18-16(19)15(11-6-7-11)12-8-9-12/h2-5,10-12,15H,6-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide?
N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide has a molecular weight of 322.25 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide is sourced from PubChem (CID 112745152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).