5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

C24H30F2N4O2 — CID 1064068

IUPAC5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H30F2N4O2/c1-15(2)14-27-23(31)19-13-18(5-7-22(19)30-10-8-16(3)9-11-30)28-24(32)29-21-6-4-17(25)12-20(21)26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeyVIICMBFSMOSUJE-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.23
Rot. Bonds6

About 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 1064068) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID1064068
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H30F2N4O2/c1-15(2)14-27-23(31)19-13-18(5-7-22(19)30-10-8-16(3)9-11-30)28-24(32)29-21-6-4-17(25)12-20(21)26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeyVIICMBFSMOSUJE-UHFFFAOYSA-N
XLogP5.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.23
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-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-[(2,6-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4267155
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42751524
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067247
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4207320
5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 42752990
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (CID 1064068) is 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1CCC(C)CC1.
What is the InChIKey of 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is VIICMBFSMOSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c1-15(2)14-27-23(31)19-13-18(5-7-22(19)30-10-8-16(3)9-11-30)28-24(32)29-21-6-4-17(25)12-20(21)26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,31)(H2,28,29,32).
What are the key properties of 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 444.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1064068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).