5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

C23H28FN3O2 — CID 1063277

IUPAC5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C23H28FN3O2/c1-15(2)25-23(29)19-14-17(26-22(28)18-6-4-5-7-20(18)24)8-9-21(19)27-12-10-16(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyQLYPPYDPPHRLGO-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.45
Rot. Bonds5

About 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 1063277) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
PubChem CID1063277
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C23H28FN3O2/c1-15(2)25-23(29)19-14-17(26-22(28)18-6-4-5-7-20(18)24)8-9-21(19)27-12-10-16(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyQLYPPYDPPHRLGO-UHFFFAOYSA-N
XLogP4.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
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-fluorobenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807442
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751555
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 3408766
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (CID 1063277) is 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is CC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)NC(C)C)CC1.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is QLYPPYDPPHRLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-15(2)25-23(29)19-14-17(26-22(28)18-6-4-5-7-20(18)24)8-9-21(19)27-12-10-16(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 397.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 1063277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).