2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide

C25H23ClFN5O2 — CID 11496661

IUPAC2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H23ClFN5O2/c1-32-15-14-28-23(32)17-4-10-20(11-5-17)29-24(33)22(16-2-8-19(27)9-3-16)31-25(34)30-21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyGDJDRODUTJTXCF-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.67
Rot. Bonds6

About 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide

2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide (PubChem CID 11496661) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
PubChem CID11496661
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H23ClFN5O2/c1-32-15-14-28-23(32)17-4-10-20(11-5-17)29-24(33)22(16-2-8-19(27)9-3-16)31-25(34)30-21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyGDJDRODUTJTXCF-UHFFFAOYSA-N
XLogP4.67
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide (CID 11496661) is 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide is CN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The InChIKey is GDJDRODUTJTXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-32-15-14-28-23(32)17-4-10-20(11-5-17)29-24(33)22(16-2-8-19(27)9-3-16)31-25(34)30-21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H,29,33)(H2,30,31,34).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide has a molecular weight of 479.94 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 11496661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).