N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide

C12H15FN2O2 — CID 112606428

IUPACN-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(F)c1O)NC1CC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-8(12(10)17)6-14-7-11(16)15-9-4-5-9/h1-3,9,14,17H,4-7H2,(H,15,16)
InChIKeyHCUGLMPVAVJJHU-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.90
Rot. Bonds5

About N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide

N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide (PubChem CID 112606428) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
PubChem CID112606428
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(F)c1O)NC1CC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-8(12(10)17)6-14-7-11(16)15-9-4-5-9/h1-3,9,14,17H,4-7H2,(H,15,16)
InChIKeyHCUGLMPVAVJJHU-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
CID 107348962
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107903904
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide (CID 112606428) is N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide is O=C(CNCc1cccc(F)c1O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The InChIKey is HCUGLMPVAVJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-2-8(12(10)17)6-14-7-11(16)15-9-4-5-9/h1-3,9,14,17H,4-7H2,(H,15,16).
What are the key properties of N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide?
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide has a molecular weight of 238.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 112606428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).