N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide

C16H17FN2O2 — CID 110880177

IUPACN-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyVONCQZPYEFEKDR-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.76
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 110880177) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID110880177
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyVONCQZPYEFEKDR-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide (CID 110880177) is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide is CC(Nc1cccc(CO)c1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is VONCQZPYEFEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 110880177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).