5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide

C24H24F2N4O2 — CID 42756324

IUPAC5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24F2N4O2/c1-30(2)22-11-9-17(28-24(32)29-18-8-10-20(25)21(26)15-18)14-19(22)23(31)27-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H2,28,29,32)
InChIKeyCHUNEBZSQJRQPC-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.65
Rot. Bonds7

About 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide

5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide (PubChem CID 42756324) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
PubChem CID42756324
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24F2N4O2/c1-30(2)22-11-9-17(28-24(32)29-18-8-10-20(25)21(26)15-18)14-19(22)23(31)27-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H2,28,29,32)
InChIKeyCHUNEBZSQJRQPC-UHFFFAOYSA-N
XLogP4.65
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide (CID 42756324) is 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide is CN(C)c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is CHUNEBZSQJRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-30(2)22-11-9-17(28-24(32)29-18-8-10-20(25)21(26)15-18)14-19(22)23(31)27-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H2,28,29,32).
What are the key properties of 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 438.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42756324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).