N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C15H21ClFN3O2 — CID 2470538

IUPACN-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1Cl)CC(=O)NC(C)C
InChIInChI=1S/C15H21ClFN3O2/c1-4-20(8-14(21)18-10(2)3)9-15(22)19-13-6-5-11(17)7-12(13)16/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLTQGIUXUVZQPBK-UHFFFAOYSA-N
MW329.80 g/mol
LogP2.26
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 2470538) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID2470538
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1Cl)CC(=O)NC(C)C
InChIInChI=1S/C15H21ClFN3O2/c1-4-20(8-14(21)18-10(2)3)9-15(22)19-13-6-5-11(17)7-12(13)16/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLTQGIUXUVZQPBK-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 2470538) is N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(F)cc1Cl)CC(=O)NC(C)C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is LTQGIUXUVZQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O2/c1-4-20(8-14(21)18-10(2)3)9-15(22)19-13-6-5-11(17)7-12(13)16/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 329.80 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 2470538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).