5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide

C14H19FN2O3 — CID 110903029

IUPAC5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H19FN2O3/c1-3-6-17(7-8-18)14(20)12-9-11(16-10(2)19)4-5-13(12)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19)
InChIKeyHMTTUKFSKSCUAK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.63
Rot. Bonds6

About 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide

5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 110903029) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID110903029
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H19FN2O3/c1-3-6-17(7-8-18)14(20)12-9-11(16-10(2)19)4-5-13(12)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19)
InChIKeyHMTTUKFSKSCUAK-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 110902888
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
CID 60816909
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
2,5-difluoro-N-(2-hydroxyethyl)-4-nitro-N-propylbenzamide
CID 115776617
2-[(5-acetamido-2-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 120518774

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide (CID 110903029) is 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cc(NC(C)=O)ccc1F.
What is the InChIKey of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is HMTTUKFSKSCUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-6-17(7-8-18)14(20)12-9-11(16-10(2)19)4-5-13(12)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19).
What are the key properties of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 282.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 110903029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).