3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide

C14H21FN2O2 — CID 54995378

IUPAC3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O2/c1-3-11(4-2)17(7-8-18)14(19)10-5-6-12(15)13(16)9-10/h5-6,9,11,18H,3-4,7-8,16H2,1-2H3
InChIKeyWVUFYSOWNPWBJY-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.03
Rot. Bonds6

About 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide

3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 54995378) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
PubChem CID54995378
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O2/c1-3-11(4-2)17(7-8-18)14(19)10-5-6-12(15)13(16)9-10/h5-6,9,11,18H,3-4,7-8,16H2,1-2H3
InChIKeyWVUFYSOWNPWBJY-UHFFFAOYSA-N
XLogP2.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62682783
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
CID 62175742
4-(bromomethyl)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 102851517
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide (CID 54995378) is 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCO)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is WVUFYSOWNPWBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-11(4-2)17(7-8-18)14(19)10-5-6-12(15)13(16)9-10/h5-6,9,11,18H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide?
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 54995378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).