N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide

C14H19ClFN3O — CID 63643377

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C14H19ClFN3O/c1-19(11-3-2-6-17-8-11)9-14(20)18-10-4-5-13(16)12(15)7-10/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyWPUBHYBOYABODX-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.10
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide (PubChem CID 63643377) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
PubChem CID63643377
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C14H19ClFN3O/c1-19(11-3-2-6-17-8-11)9-14(20)18-10-4-5-13(16)12(15)7-10/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyWPUBHYBOYABODX-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
4-chloro-N-[2-[methyl(piperidin-3-yl)amino]acetyl]benzamide
CID 63644286
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119267757
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide (CID 63643377) is N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCNC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The InChIKey is WPUBHYBOYABODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-19(11-3-2-6-17-8-11)9-14(20)18-10-4-5-13(16)12(15)7-10/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide has a molecular weight of 299.78 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 63643377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).