(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide

C21H19ClN4O3 — CID 7917393

IUPAC(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19ClN4O3/c1-12(19(27)24-15-6-4-5-14(22)10-15)26-20(28)18(25-21(26)29)9-13-11-23-17-8-3-2-7-16(13)17/h2-8,10-12,18,23H,9H2,1H3,(H,24,27)(H,25,29)/t12-,18-/m0/s1
InChIKeyRYVYRDWGFOXICK-SGTLLEGYSA-N
MW410.86 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide

(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 7917393) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID7917393
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19ClN4O3/c1-12(19(27)24-15-6-4-5-14(22)10-15)26-20(28)18(25-21(26)29)9-13-11-23-17-8-3-2-7-16(13)17/h2-8,10-12,18,23H,9H2,1H3,(H,24,27)(H,25,29)/t12-,18-/m0/s1
InChIKeyRYVYRDWGFOXICK-SGTLLEGYSA-N
XLogP3.31
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide
CID 47003746
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41103981
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(5S)-5-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 851635
N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556366
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide (CID 7917393) is (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is RYVYRDWGFOXICK-SGTLLEGYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-12(19(27)24-15-6-4-5-14(22)10-15)26-20(28)18(25-21(26)29)9-13-11-23-17-8-3-2-7-16(13)17/h2-8,10-12,18,23H,9H2,1H3,(H,24,27)(H,25,29)/t12-,18-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 410.86 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 7917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).