(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

C15H19ClN4O3 — CID 95330581

IUPAC(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3/c1-17-14(22)12-3-2-8-20(12)13(21)9-18-15(23)19-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,22)(H2,18,19,23)/t12-/m1/s1
InChIKeyYKQSICGOHSTOLU-GFCCVEGCSA-N
MW338.80 g/mol
LogP1.20
Rot. Bonds4

About (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95330581) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95330581
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3/c1-17-14(22)12-3-2-8-20(12)13(21)9-18-15(23)19-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,22)(H2,18,19,23)/t12-/m1/s1
InChIKeyYKQSICGOHSTOLU-GFCCVEGCSA-N
XLogP1.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95319810
(2S)-N-methyl-1-[2-[(3-nitrophenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 95149524
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
1-[2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119051827
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625911
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 95330581) is (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YKQSICGOHSTOLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-17-14(22)12-3-2-8-20(12)13(21)9-18-15(23)19-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,22)(H2,18,19,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95330581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).