N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide

C21H20FN3O3 — CID 167327973

IUPACN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide
SMILESCc1cc(C(=O)NC[C@@]2(C3CC3)NC(=O)NC2=O)c(-c2ccccc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-12-9-16(15(10-17(12)22)13-5-3-2-4-6-13)18(26)23-11-21(14-7-8-14)19(27)24-20(28)25-21/h2-6,9-10,14H,7-8,11H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1
InChIKeyXJVLPXJWOBNFDQ-NRFANRHFSA-N
MW381.41 g/mol
LogP2.52
Rot. Bonds5

About N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide

N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide (PubChem CID 167327973) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide
PubChem CID167327973
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide
SMILESCc1cc(C(=O)NC[C@@]2(C3CC3)NC(=O)NC2=O)c(-c2ccccc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-12-9-16(15(10-17(12)22)13-5-3-2-4-6-13)18(26)23-11-21(14-7-8-14)19(27)24-20(28)25-21/h2-6,9-10,14H,7-8,11H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1
InChIKeyXJVLPXJWOBNFDQ-NRFANRHFSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide?
The IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide (CID 167327973) is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide?
The canonical SMILES for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide is Cc1cc(C(=O)NC[C@@]2(C3CC3)NC(=O)NC2=O)c(-c2ccccc2)cc1F.
What is the InChIKey of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide?
The InChIKey is XJVLPXJWOBNFDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-9-16(15(10-17(12)22)13-5-3-2-4-6-13)18(26)23-11-21(14-7-8-14)19(27)24-20(28)25-21/h2-6,9-10,14H,7-8,11H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1.
What are the key properties of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide?
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide has a molecular weight of 381.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-4-fluoro-5-methyl-2-phenylbenzamide is sourced from PubChem (CID 167327973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).