N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide

C15H14ClFN2O3 — CID 135358852

IUPACN-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide
SMILESNc1cc(Cl)c(OCc2cccc(F)c2)cc1NC(=O)CO
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-12(18)13(19-15(21)7-20)6-14(11)22-8-9-2-1-3-10(17)4-9/h1-6,20H,7-8,18H2,(H,19,21)
InChIKeyXRNQNRCAYYHOQO-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.57
Rot. Bonds5

About N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide

N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide (PubChem CID 135358852) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide
PubChem CID135358852
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC NameN-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide
SMILESNc1cc(Cl)c(OCc2cccc(F)c2)cc1NC(=O)CO
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-12(18)13(19-15(21)7-20)6-14(11)22-8-9-2-1-3-10(17)4-9/h1-6,20H,7-8,18H2,(H,19,21)
InChIKeyXRNQNRCAYYHOQO-UHFFFAOYSA-N
XLogP2.57
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
N-(2-amino-5-fluorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60801946
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 82153732
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
CID 33065215

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide (CID 135358852) is N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide is Nc1cc(Cl)c(OCc2cccc(F)c2)cc1NC(=O)CO.
What is the InChIKey of N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide?
The InChIKey is XRNQNRCAYYHOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c16-11-5-12(18)13(19-15(21)7-20)6-14(11)22-8-9-2-1-3-10(17)4-9/h1-6,20H,7-8,18H2,(H,19,21).
What are the key properties of N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide?
N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide has a molecular weight of 324.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 135358852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).