3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide

C25H25Cl2N3O2 — CID 143675053

IUPAC3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(C2CCc3c([nH]c4ccccc34)C2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H25Cl2N3O2/c26-20-8-6-16(11-21(20)27)25(32)28-13-24(31)30-10-9-17(14-30)15-5-7-19-18-3-1-2-4-22(18)29-23(19)12-15/h1-4,6,8,11,15,17,29H,5,7,9-10,12-14H2,(H,28,32)
InChIKeyHYRTYRXWKCSLLD-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.86
Rot. Bonds4

About 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide (PubChem CID 143675053) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide
PubChem CID143675053
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC Name3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(C2CCc3c([nH]c4ccccc34)C2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H25Cl2N3O2/c26-20-8-6-16(11-21(20)27)25(32)28-13-24(31)30-10-9-17(14-30)15-5-7-19-18-3-1-2-4-22(18)29-23(19)12-15/h1-4,6,8,11,15,17,29H,5,7,9-10,12-14H2,(H,28,32)
InChIKeyHYRTYRXWKCSLLD-UHFFFAOYSA-N
XLogP4.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764910
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 34432708
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide (CID 143675053) is 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCC(C2CCc3c([nH]c4ccccc34)C2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is HYRTYRXWKCSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2/c26-20-8-6-16(11-21(20)27)25(32)28-13-24(31)30-10-9-17(14-30)15-5-7-19-18-3-1-2-4-22(18)29-23(19)12-15/h1-4,6,8,11,15,17,29H,5,7,9-10,12-14H2,(H,28,32).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 470.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-[3-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)pyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 143675053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).