(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C24H18ClN3O5 — CID 55939473

IUPAC(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C24H18ClN3O5/c25-17-13-14(9-10-18(17)28-22(30)15-5-1-2-6-16(15)23(28)31)26-21(29)19-7-3-11-27(19)24(32)20-8-4-12-33-20/h1-2,4-6,8-10,12-13,19H,3,7,11H2,(H,26,29)/t19-/m0/s1
InChIKeyNWZLDLFZAAUJCD-IBGZPJMESA-N
MW463.88 g/mol
LogP3.98
Rot. Bonds4

About (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55939473) has the molecular formula C24H18ClN3O5 and a molecular weight of 463.88 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55939473
Molecular FormulaC24H18ClN3O5
Molecular Weight463.88 g/mol
Exact Mass463.09
IUPAC Name(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C24H18ClN3O5/c25-17-13-14(9-10-18(17)28-22(30)15-5-1-2-6-16(15)23(28)31)26-21(29)19-7-3-11-27(19)24(32)20-8-4-12-33-20/h1-2,4-6,8-10,12-13,19H,3,7,11H2,(H,26,29)/t19-/m0/s1
InChIKeyNWZLDLFZAAUJCD-IBGZPJMESA-N
XLogP3.98
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
CID 55979205
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 55939473) is (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is NWZLDLFZAAUJCD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H18ClN3O5/c25-17-13-14(9-10-18(17)28-22(30)15-5-1-2-6-16(15)23(28)31)26-21(29)19-7-3-11-27(19)24(32)20-8-4-12-33-20/h1-2,4-6,8-10,12-13,19H,3,7,11H2,(H,26,29)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 463.88 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).