N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C22H21ClN4O4 — CID 126418717

IUPACN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C22H21ClN4O4/c23-15-7-1-5-13-14-6-2-8-16(20(14)26-19(13)15)24-18(28)10-17-21(29)27(22(30)25-17)11-12-4-3-9-31-12/h1,3-5,7,9,16-17,26H,2,6,8,10-11H2,(H,24,28)(H,25,30)/t16-,17-/m1/s1
InChIKeyXJPWPPNBGMAUGL-IAGOWNOFSA-N
MW440.89 g/mol
LogP3.42
Rot. Bonds5

About N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 126418717) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID126418717
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC NameN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C22H21ClN4O4/c23-15-7-1-5-13-14-6-2-8-16(20(14)26-19(13)15)24-18(28)10-17-21(29)27(22(30)25-17)11-12-4-3-9-31-12/h1,3-5,7,9,16-17,26H,2,6,8,10-11H2,(H,24,28)(H,25,30)/t16-,17-/m1/s1
InChIKeyXJPWPPNBGMAUGL-IAGOWNOFSA-N
XLogP3.42
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 124879536
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 124879535
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
CID 97496306
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418568
2-[(4S)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110207168
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639556
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 126418717) is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is XJPWPPNBGMAUGL-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c23-15-7-1-5-13-14-6-2-8-16(20(14)26-19(13)15)24-18(28)10-17-21(29)27(22(30)25-17)11-12-4-3-9-31-12/h1,3-5,7,9,16-17,26H,2,6,8,10-11H2,(H,24,28)(H,25,30)/t16-,17-/m1/s1.
What are the key properties of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 440.89 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 126418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).