(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

C15H18F2N4O3 — CID 95319810

IUPAC(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N4O3/c1-18-14(23)12-3-2-4-21(12)13(22)8-19-15(24)20-11-6-9(16)5-10(17)7-11/h5-7,12H,2-4,8H2,1H3,(H,18,23)(H2,19,20,24)/t12-/m0/s1
InChIKeyBUJALQMQWHCYHJ-LBPRGKRZSA-N
MW340.33 g/mol
LogP0.82
Rot. Bonds4

About (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95319810) has the molecular formula C15H18F2N4O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95319810
Molecular FormulaC15H18F2N4O3
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N4O3/c1-18-14(23)12-3-2-4-21(12)13(22)8-19-15(24)20-11-6-9(16)5-10(17)7-11/h5-7,12H,2-4,8H2,1H3,(H,18,23)(H2,19,20,24)/t12-/m0/s1
InChIKeyBUJALQMQWHCYHJ-LBPRGKRZSA-N
XLogP0.82
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
(2S)-N-methyl-1-[2-[(3-nitrophenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 95149524
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(4-fluorophenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56533900
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
6-bromo-4-fluoro-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-indole-2-carboxamide
CID 86935325
1-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544353
1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544358
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
1-[2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119051827

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 95319810) is (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BUJALQMQWHCYHJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F2N4O3/c1-18-14(23)12-3-2-4-21(12)13(22)8-19-15(24)20-11-6-9(16)5-10(17)7-11/h5-7,12H,2-4,8H2,1H3,(H,18,23)(H2,19,20,24)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95319810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).