N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H17ClFN3O3 — CID 7870174

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyKDSTVMKBKVSMQF-LBPRGKRZSA-N
MW389.81 g/mol
LogP3.58
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7870174) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7870174
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyKDSTVMKBKVSMQF-LBPRGKRZSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18275689
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2455847
N-(2-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4963894
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696995
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51182666
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 40987532
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55365492
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46809668

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7870174) is N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KDSTVMKBKVSMQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 389.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).