N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide

C10H9BrClNO — CID 135075501

IUPACN-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(Cl)=C/Br)c1
InChIInChI=1S/C10H9BrClNO/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-6H,1H3,(H,13,14)/b10-6-
InChIKeyLNYDYJITNNZZTO-POHAHGRESA-N
MW274.55 g/mol
LogP3.58
Rot. Bonds2

About N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide

N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide (PubChem CID 135075501) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
PubChem CID135075501
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC NameN-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(Cl)=C/Br)c1
InChIInChI=1S/C10H9BrClNO/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-6H,1H3,(H,13,14)/b10-6-
InChIKeyLNYDYJITNNZZTO-POHAHGRESA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide (CID 135075501) is N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide is CC(=O)Nc1cccc(/C(Cl)=C/Br)c1.
What is the InChIKey of N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide?
The InChIKey is LNYDYJITNNZZTO-POHAHGRESA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-6H,1H3,(H,13,14)/b10-6-.
What are the key properties of N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide?
N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide has a molecular weight of 274.55 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide is sourced from PubChem (CID 135075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).