N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide

C28H24ClFN4O2 — CID 42828464

IUPACN-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1F
InChIInChI=1S/C28H24ClFN4O2/c1-3-15-33(27(36)23-9-4-5-10-24(23)30)18-26(35)32-28-31-25(20-11-13-21(29)14-12-20)17-34(28)22-8-6-7-19(2)16-22/h3-14,16-17H,1,15,18H2,2H3,(H,31,32,35)
InChIKeyRJQAETHHOOSRJO-UHFFFAOYSA-N
MW502.98 g/mol
LogP5.91
Rot. Bonds8

About N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide

N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide (PubChem CID 42828464) has the molecular formula C28H24ClFN4O2 and a molecular weight of 502.98 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
PubChem CID42828464
Molecular FormulaC28H24ClFN4O2
Molecular Weight502.98 g/mol
Exact Mass502.16
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1F
InChIInChI=1S/C28H24ClFN4O2/c1-3-15-33(27(36)23-9-4-5-10-24(23)30)18-26(35)32-28-31-25(20-11-13-21(29)14-12-20)17-34(28)22-8-6-7-19(2)16-22/h3-14,16-17H,1,15,18H2,2H3,(H,31,32,35)
InChIKeyRJQAETHHOOSRJO-UHFFFAOYSA-N
XLogP5.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.98
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 42827290
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42826521
2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827275
N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
CID 42828613
N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828514
2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827258
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 42827171
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 42828250

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide (CID 42828464) is N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide is C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide?
The InChIKey is RJQAETHHOOSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O2/c1-3-15-33(27(36)23-9-4-5-10-24(23)30)18-26(35)32-28-31-25(20-11-13-21(29)14-12-20)17-34(28)22-8-6-7-19(2)16-22/h3-14,16-17H,1,15,18H2,2H3,(H,31,32,35).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide?
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide has a molecular weight of 502.98 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 42828464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).