N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide

C11H14F2N2O3 — CID 170830125

IUPACN-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-5(16)15-4-10(17)11(18)6-2-9(14)8(13)3-7(6)12/h2-3,10-11,17-18H,4,14H2,1H3,(H,15,16)
InChIKeyBVTYCQACMLJHIA-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.08
Rot. Bonds4

About N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830125) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830125
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-5(16)15-4-10(17)11(18)6-2-9(14)8(13)3-7(6)12/h2-3,10-11,17-18H,4,14H2,1H3,(H,15,16)
InChIKeyBVTYCQACMLJHIA-UHFFFAOYSA-N
XLogP0.08
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
5-(3-acetamido-1,2-dihydroxypropyl)-2-amino-4-fluorobenzoic acid
CID 170830723
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
tert-butyl N-[3-(4-amino-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832195
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(2-fluoro-4-methyl-5-nitrophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830726
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide (CID 170830125) is N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(N)c(F)cc1F.
What is the InChIKey of N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is BVTYCQACMLJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-5(16)15-4-10(17)11(18)6-2-9(14)8(13)3-7(6)12/h2-3,10-11,17-18H,4,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 260.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).