2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C17H23F2N3O2 — CID 18087279

IUPAC2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c1-22(13-5-3-2-4-6-13)11-17(24)20-10-16(23)21-12-7-8-14(18)15(19)9-12/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyMLLQHZCKQJVKTP-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 18087279) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID18087279
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c1-22(13-5-3-2-4-6-13)11-17(24)20-10-16(23)21-12-7-8-14(18)15(19)9-12/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyMLLQHZCKQJVKTP-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 110881770
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3,4-difluorophenyl)-2-[[2-(N,2,5-trimethylanilino)acetyl]amino]acetamide
CID 55863997
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
N-(3,4-difluorophenyl)-2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8695732
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 18087279) is 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is MLLQHZCKQJVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-22(13-5-3-2-4-6-13)11-17(24)20-10-16(23)21-12-7-8-14(18)15(19)9-12/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 18087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).