2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide

C25H23ClN4O — CID 175628645

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H23ClN4O/c26-21-8-6-19(7-9-21)14-15-28-24(20-4-2-1-3-5-20)25(31)29-22-10-12-23(13-11-22)30-17-16-27-18-30/h1-13,16-18,24,28H,14-15H2,(H,29,31)
InChIKeyOTEVMYLAKAOSJF-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.04
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide

2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide (PubChem CID 175628645) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
PubChem CID175628645
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H23ClN4O/c26-21-8-6-19(7-9-21)14-15-28-24(20-4-2-1-3-5-20)25(31)29-22-10-12-23(13-11-22)30-17-16-27-18-30/h1-13,16-18,24,28H,14-15H2,(H,29,31)
InChIKeyOTEVMYLAKAOSJF-UHFFFAOYSA-N
XLogP5.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 158662618
2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
CID 175630397
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
CID 167540048
2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175630363
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
2-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]benzoic acid
CID 56762074
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
3-(4-imidazol-1-ylphenyl)-2-oxo-1-phenylpropane-1-sulfonic acid
CID 149457526
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide (CID 175628645) is 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide is O=C(Nc1ccc(-n2ccnc2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide?
The InChIKey is OTEVMYLAKAOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-21-8-6-19(7-9-21)14-15-28-24(20-4-2-1-3-5-20)25(31)29-22-10-12-23(13-11-22)30-17-16-27-18-30/h1-13,16-18,24,28H,14-15H2,(H,29,31).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide has a molecular weight of 430.94 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide is sourced from PubChem (CID 175628645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).