N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide

C15H14ClFN2O2 — CID 107997538

IUPACN-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccccc1N(CCO)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-6-5-10(9-12(11)17)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2
InChIKeyYSQXMSAMCMPOTF-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.70
Rot. Bonds4

About N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide

N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 107997538) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID107997538
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccccc1N(CCO)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-11-6-5-10(9-12(11)17)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2
InChIKeyYSQXMSAMCMPOTF-UHFFFAOYSA-N
XLogP2.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide (CID 107997538) is N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide is Nc1ccccc1N(CCO)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is YSQXMSAMCMPOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-6-5-10(9-12(11)17)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2.
What are the key properties of N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide?
N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 308.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-chloro-3-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107997538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).