N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

C19H22ClN3O3 — CID 55675283

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C19H22ClN3O3/c20-14-8-7-13(22-9-2-4-17(22)24)11-15(14)21-18(25)16-3-1-10-23(16)19(26)12-5-6-12/h7-8,11-12,16H,1-6,9-10H2,(H,21,25)
InChIKeyGYTHSNSPWZZACP-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.81
Rot. Bonds4

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 55675283) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID55675283
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C19H22ClN3O3/c20-14-8-7-13(22-9-2-4-17(22)24)11-15(14)21-18(25)16-3-1-10-23(16)19(26)12-5-6-12/h7-8,11-12,16H,1-6,9-10H2,(H,21,25)
InChIKeyGYTHSNSPWZZACP-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 11604288
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51213620

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 55675283) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(N2CCCC2=O)ccc1Cl)C1CCCN1C(=O)C1CC1.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GYTHSNSPWZZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-14-8-7-13(22-9-2-4-17(22)24)11-15(14)21-18(25)16-3-1-10-23(16)19(26)12-5-6-12/h7-8,11-12,16H,1-6,9-10H2,(H,21,25).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55675283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).