N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide

C9H10ClNO2 — CID 89327281

IUPACN-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide
SMILESCCc1ccc(NC=O)c(O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-2-6-3-4-7(11-5-12)9(13)8(6)10/h3-5,13H,2H2,1H3,(H,11,12)
InChIKeyNUUJBVWGCZRSMU-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.18
Rot. Bonds3

About N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide

N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide (PubChem CID 89327281) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide
PubChem CID89327281
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC NameN-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide
SMILESCCc1ccc(NC=O)c(O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-2-6-3-4-7(11-5-12)9(13)8(6)10/h3-5,13H,2H2,1H3,(H,11,12)
InChIKeyNUUJBVWGCZRSMU-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide?
The IUPAC name of N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide (CID 89327281) is N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide.
What is the SMILES notation for N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide?
The canonical SMILES for N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide is CCc1ccc(NC=O)c(O)c1Cl.
What is the InChIKey of N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide?
The InChIKey is NUUJBVWGCZRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-6-3-4-7(11-5-12)9(13)8(6)10/h3-5,13H,2H2,1H3,(H,11,12).
What are the key properties of N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide?
N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide has a molecular weight of 199.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide is sourced from PubChem (CID 89327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).