N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide

C23H25ClFN3O2 — CID 53145962

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H25ClFN3O2/c24-20-12-17(25)7-6-16(20)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29)
InChIKeyRJPVOLOOLVWOOO-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.75
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide

N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide (PubChem CID 53145962) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
PubChem CID53145962
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H25ClFN3O2/c24-20-12-17(25)7-6-16(20)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29)
InChIKeyRJPVOLOOLVWOOO-UHFFFAOYSA-N
XLogP4.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide (CID 53145962) is N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide is O=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is RJPVOLOOLVWOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c24-20-12-17(25)7-6-16(20)14-26-23(30)19-9-8-18(27-22(29)15-4-5-15)13-21(19)28-10-2-1-3-11-28/h6-9,12-13,15H,1-5,10-11,14H2,(H,26,30)(H,27,29).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 429.92 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).