N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide

C13H15BrClNO — CID 171633740

IUPACN-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide
SMILESCC(=O)NCCC1(c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrClNO/c1-9(17)16-7-6-13(4-5-13)11-3-2-10(14)8-12(11)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyCGJWRBHDLNLCBV-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.66
Rot. Bonds4

About N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide

N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide (PubChem CID 171633740) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide
PubChem CID171633740
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide
SMILESCC(=O)NCCC1(c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrClNO/c1-9(17)16-7-6-13(4-5-13)11-3-2-10(14)8-12(11)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyCGJWRBHDLNLCBV-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-bromo-2-chlorophenyl)cyclopropyl]-N-methylmethanamine
CID 83744622
3-[[[1-(4-bromo-2-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122034798
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
CID 133436542
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
4-bromo-2-chloro-1-(1-isocyanatocyclopropyl)benzene
CID 117434212
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271703
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide (CID 171633740) is N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide is CC(=O)NCCC1(c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide?
The InChIKey is CGJWRBHDLNLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-9(17)16-7-6-13(4-5-13)11-3-2-10(14)8-12(11)15/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide?
N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide has a molecular weight of 316.63 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromo-2-chlorophenyl)cyclopropyl]ethyl]acetamide is sourced from PubChem (CID 171633740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).