N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide

C18H21FN2O2 — CID 110881844

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNc1cccc(CO)c1
InChIInChI=1S/C18H21FN2O2/c1-2-21(12-14-5-3-7-16(19)9-14)18(23)11-20-17-8-4-6-15(10-17)13-22/h3-10,20,22H,2,11-13H2,1H3
InChIKeyXLXLIGCRIKRFQB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.78
Rot. Bonds7

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide (PubChem CID 110881844) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
PubChem CID110881844
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNc1cccc(CO)c1
InChIInChI=1S/C18H21FN2O2/c1-2-21(12-14-5-3-7-16(19)9-14)18(23)11-20-17-8-4-6-15(10-17)13-22/h3-10,20,22H,2,11-13H2,1H3
InChIKeyXLXLIGCRIKRFQB-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 112801097
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
CID 110881852
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491494
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24548300
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide (CID 110881844) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide is CCN(Cc1cccc(F)c1)C(=O)CNc1cccc(CO)c1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide?
The InChIKey is XLXLIGCRIKRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-21(12-14-5-3-7-16(19)9-14)18(23)11-20-17-8-4-6-15(10-17)13-22/h3-10,20,22H,2,11-13H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide is sourced from PubChem (CID 110881844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).