N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide

C11H13BrClNO2 — CID 156782356

IUPACN-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(C)=O)c(Cl)cc1CBr
InChIInChI=1S/C11H13BrClNO2/c1-3-16-11-5-10(14-7(2)15)9(13)4-8(11)6-12/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyAUEUXDFADHXHJI-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide

N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide (PubChem CID 156782356) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
PubChem CID156782356
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(C)=O)c(Cl)cc1CBr
InChIInChI=1S/C11H13BrClNO2/c1-3-16-11-5-10(14-7(2)15)9(13)4-8(11)6-12/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyAUEUXDFADHXHJI-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
N-[2-chloro-5-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513232
N-(2,4-dichloro-5-propoxyphenyl)acetamide
CID 165356736
N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
CID 162343437
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
CID 852877
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
5-chloro-2-ethoxy-4-formamidobenzoic acid
CID 14877393
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
CID 162515859
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide?
The IUPAC name of N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide (CID 156782356) is N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide?
The canonical SMILES for N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide is CCOc1cc(NC(C)=O)c(Cl)cc1CBr.
What is the InChIKey of N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide?
The InChIKey is AUEUXDFADHXHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-3-16-11-5-10(14-7(2)15)9(13)4-8(11)6-12/h4-5H,3,6H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide?
N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide has a molecular weight of 306.59 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide is sourced from PubChem (CID 156782356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).