2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide

C12H15F2N3O2 — CID 8711015

IUPAC2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O2/c1-7(9-4-3-8(13)5-10(9)14)16-6-11(18)17-12(19)15-2/h3-5,7,16H,6H2,1-2H3,(H2,15,17,18,19)/t7-/m1/s1
InChIKeyNBCVQNSZVZUGMO-SSDOTTSWSA-N
MW271.27 g/mol
LogP1.07
Rot. Bonds4

About 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide (PubChem CID 8711015) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
PubChem CID8711015
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O2/c1-7(9-4-3-8(13)5-10(9)14)16-6-11(18)17-12(19)15-2/h3-5,7,16H,6H2,1-2H3,(H2,15,17,18,19)/t7-/m1/s1
InChIKeyNBCVQNSZVZUGMO-SSDOTTSWSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9369354
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9368665
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide (CID 8711015) is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is NBCVQNSZVZUGMO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-7(9-4-3-8(13)5-10(9)14)16-6-11(18)17-12(19)15-2/h3-5,7,16H,6H2,1-2H3,(H2,15,17,18,19)/t7-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide?
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 271.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 8711015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).