N-(2,4-dichloro-3-ethoxyphenyl)formamide

C9H9Cl2NO2 — CID 118874942

IUPACN-(2,4-dichloro-3-ethoxyphenyl)formamide
SMILESCCOc1c(Cl)ccc(NC=O)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9-6(10)3-4-7(8(9)11)12-5-13/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKGLOFTUODGPCCM-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.96
Rot. Bonds4

About N-(2,4-dichloro-3-ethoxyphenyl)formamide

N-(2,4-dichloro-3-ethoxyphenyl)formamide (PubChem CID 118874942) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is N-(2,4-dichloro-3-ethoxyphenyl)formamide.

Molecular Properties

Compound NameN-(2,4-dichloro-3-ethoxyphenyl)formamide
PubChem CID118874942
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC NameN-(2,4-dichloro-3-ethoxyphenyl)formamide
SMILESCCOc1c(Cl)ccc(NC=O)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9-6(10)3-4-7(8(9)11)12-5-13/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKGLOFTUODGPCCM-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-3-fluorophenyl)formamide
CID 168653296
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
5-chloro-2-ethoxy-4-formamidobenzoic acid
CID 14877393
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
5-[(3-chloro-2-ethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537516
N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide
CID 87294357
CID 174673959
CID 174673959
1,2,4-trichloro-3-(2-methylpropoxy)benzene
CID 91732249
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
CID 164893633

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-3-ethoxyphenyl)formamide?
The IUPAC name of N-(2,4-dichloro-3-ethoxyphenyl)formamide (CID 118874942) is N-(2,4-dichloro-3-ethoxyphenyl)formamide.
What is the SMILES notation for N-(2,4-dichloro-3-ethoxyphenyl)formamide?
The canonical SMILES for N-(2,4-dichloro-3-ethoxyphenyl)formamide is CCOc1c(Cl)ccc(NC=O)c1Cl.
What is the InChIKey of N-(2,4-dichloro-3-ethoxyphenyl)formamide?
The InChIKey is KGLOFTUODGPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-2-14-9-6(10)3-4-7(8(9)11)12-5-13/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(2,4-dichloro-3-ethoxyphenyl)formamide?
N-(2,4-dichloro-3-ethoxyphenyl)formamide has a molecular weight of 234.08 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-3-ethoxyphenyl)formamide is sourced from PubChem (CID 118874942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).