2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide

C19H21F2N3O — CID 119946714

IUPAC2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESNc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-6-5-13(11-17(16)21)12-24-9-7-14(8-10-24)23-19(25)15-3-1-2-4-18(15)22/h1-6,11,14H,7-10,12,22H2,(H,23,25)
InChIKeyZIHOBEBVFQJTNR-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide

2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 119946714) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID119946714
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESNc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-6-5-13(11-17(16)21)12-24-9-7-14(8-10-24)23-19(25)15-3-1-2-4-18(15)22/h1-6,11,14H,7-10,12,22H2,(H,23,25)
InChIKeyZIHOBEBVFQJTNR-UHFFFAOYSA-N
XLogP2.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55949549
1-benzyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55836832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide (CID 119946714) is 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide is Nc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is ZIHOBEBVFQJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-6-5-13(11-17(16)21)12-24-9-7-14(8-10-24)23-19(25)15-3-1-2-4-18(15)22/h1-6,11,14H,7-10,12,22H2,(H,23,25).
What are the key properties of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide?
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 345.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 119946714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).