N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H16ClFN4O3 — CID 4567489

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29)
InChIKeyUIGVCZNVTQPSPN-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.06
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4567489) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4567489
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29)
InChIKeyUIGVCZNVTQPSPN-UHFFFAOYSA-N
XLogP3.06
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Macimorelin
CID 9804938
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286
Brevianamide F
CID 181567
c[L-Phe-D-pro-L-Phe-L-trp]
CID 44583372
Pmx-205
CID 6918845
Pmx-53
CID 6918468
Macimorelin Acetate
CID 71526737
(5R)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 11288934
Cyclo-(L-Trp-L-Trp)
CID 7091706
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
Necrostatin-1s
CID 643953
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 656755

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4567489) is N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is UIGVCZNVTQPSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 414.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4567489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).