N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide

C22H19Cl2N3O3 — CID 55613943

IUPACN-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O3/c1-13-17-5-2-3-6-18(17)22(30)27(13)12-20(28)26-8-4-7-19(26)21(29)25-16-10-14(23)9-15(24)11-16/h2-3,5-6,9-11,19H,1,4,7-8,12H2,(H,25,29)
InChIKeyHCQQPKGXUWOFOK-UHFFFAOYSA-N
MW444.32 g/mol
LogP4.05
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 55613943) has the molecular formula C22H19Cl2N3O3 and a molecular weight of 444.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID55613943
Molecular FormulaC22H19Cl2N3O3
Molecular Weight444.32 g/mol
Exact Mass443.08
IUPAC NameN-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O3/c1-13-17-5-2-3-6-18(17)22(30)27(13)12-20(28)26-8-4-7-19(26)21(29)25-16-10-14(23)9-15(24)11-16/h2-3,5-6,9-11,19H,1,4,7-8,12H2,(H,25,29)
InChIKeyHCQQPKGXUWOFOK-UHFFFAOYSA-N
XLogP4.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-1-[2-(1-oxophthalazin-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 55614167
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
N-(3,5-dichlorophenyl)-1-[2-(3-fluorophenyl)acetyl]pyrrolidine-2-carboxamide
CID 55613895
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
2-[2-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 94106765
2-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 94106766
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 55613943) is N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide is C=C1c2ccccc2C(=O)N1CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is HCQQPKGXUWOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3/c1-13-17-5-2-3-6-18(17)22(30)27(13)12-20(28)26-8-4-7-19(26)21(29)25-16-10-14(23)9-15(24)11-16/h2-3,5-6,9-11,19H,1,4,7-8,12H2,(H,25,29).
What are the key properties of N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 444.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55613943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).