2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide

C14H19F2N3O2 — CID 8638855

IUPAC2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-3-17-13(20)8-19-14(21)7-18-9(2)10-4-5-11(15)12(16)6-10/h4-6,9,18H,3,7-8H2,1-2H3,(H,17,20)(H,19,21)/t9-/m0/s1
InChIKeyFRNDPUQAQRQALP-VIFPVBQESA-N
MW299.32 g/mol
LogP0.87
Rot. Bonds7

About 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 8638855) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID8638855
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-3-17-13(20)8-19-14(21)7-18-9(2)10-4-5-11(15)12(16)6-10/h4-6,9,18H,3,7-8H2,1-2H3,(H,17,20)(H,19,21)/t9-/m0/s1
InChIKeyFRNDPUQAQRQALP-VIFPVBQESA-N
XLogP0.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 8638855) is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is FRNDPUQAQRQALP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-3-17-13(20)8-19-14(21)7-18-9(2)10-4-5-11(15)12(16)6-10/h4-6,9,18H,3,7-8H2,1-2H3,(H,17,20)(H,19,21)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 299.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8638855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).