2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide

C13H14Br2ClNO — CID 107941471

IUPAC2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCCl)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-9-1-2-10(11(15)7-9)12(18)17-8-13(3-4-13)5-6-16/h1-2,7H,3-6,8H2,(H,17,18)
InChIKeyVODORWVUOMNDKI-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.35
Rot. Bonds5

About 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide

2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide (PubChem CID 107941471) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
PubChem CID107941471
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCCl)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-9-1-2-10(11(15)7-9)12(18)17-8-13(3-4-13)5-6-16/h1-2,7H,3-6,8H2,(H,17,18)
InChIKeyVODORWVUOMNDKI-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.35
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

2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide (CID 107941471) is 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide is O=C(NCC1(CCCl)CC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide?
The InChIKey is VODORWVUOMNDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-9-1-2-10(11(15)7-9)12(18)17-8-13(3-4-13)5-6-16/h1-2,7H,3-6,8H2,(H,17,18).
What are the key properties of 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide?
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide has a molecular weight of 395.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 107941471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).