3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide

C21H25F2N3O2 — CID 8638827

IUPAC3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H25F2N3O2/c1-4-26(5-2)21(28)16-7-6-8-17(11-16)25-20(27)13-24-14(3)15-9-10-18(22)19(23)12-15/h6-12,14,24H,4-5,13H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyJHVVFVLQWZFHQQ-CQSZACIVSA-N
MW389.45 g/mol
LogP3.74
Rot. Bonds8

About 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 8638827) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID8638827
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H25F2N3O2/c1-4-26(5-2)21(28)16-7-6-8-17(11-16)25-20(27)13-24-14(3)15-9-10-18(22)19(23)12-15/h6-12,14,24H,4-5,13H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyJHVVFVLQWZFHQQ-CQSZACIVSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8638826
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide
CID 9376830
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide (CID 8638827) is 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is JHVVFVLQWZFHQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-4-26(5-2)21(28)16-7-6-8-17(11-16)25-20(27)13-24-14(3)15-9-10-18(22)19(23)12-15/h6-12,14,24H,4-5,13H2,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 389.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8638827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).