5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

C28H31FN4O2 — CID 1067247

IUPAC5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccccc3F)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C28H31FN4O2/c1-20-14-17-33(18-15-20)26-12-11-22(31-28(35)32-25-10-6-5-9-24(25)29)19-23(26)27(34)30-16-13-21-7-3-2-4-8-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H2,31,32,35)
InChIKeyWIWBPNNRXRQZOP-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.68
Rot. Bonds7

About 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 1067247) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID1067247
Molecular FormulaC28H31FN4O2
Molecular Weight474.58 g/mol
Exact Mass474.24
IUPAC Name5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccccc3F)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C28H31FN4O2/c1-20-14-17-33(18-15-20)26-12-11-22(31-28(35)32-25-10-6-5-9-24(25)29)19-23(26)27(34)30-16-13-21-7-3-2-4-8-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H2,31,32,35)
InChIKeyWIWBPNNRXRQZOP-UHFFFAOYSA-N
XLogP5.68
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.68
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-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260
5-[(2-fluorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 1065484
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-phenylethyl)benzamide
CID 42659015
2-(4-benzylpiperidin-1-yl)-5-[(2-fluorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 3978698
N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42753386
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661823
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42757099
2-(4-benzylpiperazin-1-yl)-5-[(2-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide
CID 42753062

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (CID 1067247) is 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is CC1CCN(c2ccc(NC(=O)Nc3ccccc3F)cc2C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is WIWBPNNRXRQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-20-14-17-33(18-15-20)26-12-11-22(31-28(35)32-25-10-6-5-9-24(25)29)19-23(26)27(34)30-16-13-21-7-3-2-4-8-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H2,31,32,35).
What are the key properties of 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 474.58 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1067247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).