N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide

C17H12Cl2FN3O2 — CID 98310542

IUPACN-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O2/c18-15(19)17(23-14(24)11-6-8-12(20)9-7-11)16(25)21-13(22-17)10-4-2-1-3-5-10/h1-9,15H,(H,23,24)(H,21,22,25)/t17-/m0/s1
InChIKeyVDFKKWAGMHAICI-KRWDZBQOSA-N
MW380.21 g/mol
LogP2.63
Rot. Bonds4

About N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide

N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide (PubChem CID 98310542) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
PubChem CID98310542
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O2/c18-15(19)17(23-14(24)11-6-8-12(20)9-7-11)16(25)21-13(22-17)10-4-2-1-3-5-10/h1-9,15H,(H,23,24)(H,21,22,25)/t17-/m0/s1
InChIKeyVDFKKWAGMHAICI-KRWDZBQOSA-N
XLogP2.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310543
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209137
N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98168463
N-[(4S)-4-(dichloromethyl)-2-methylsulfonyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98207075
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
CID 11964770
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
4-chloro-2,6-diphenyl-1H-1,3,5-triazine-4-carboxylic acid
CID 174807962
4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
CID 142743863

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide (CID 98310542) is N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide is O=C(N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide?
The InChIKey is VDFKKWAGMHAICI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c18-15(19)17(23-14(24)11-6-8-12(20)9-7-11)16(25)21-13(22-17)10-4-2-1-3-5-10/h1-9,15H,(H,23,24)(H,21,22,25)/t17-/m0/s1.
What are the key properties of N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide?
N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide has a molecular weight of 380.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 98310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).