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

C15H21ClFN3O — CID 79702201

IUPACN-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1F)CC1CCNCC1
InChIInChI=1S/C15H21ClFN3O/c1-20(9-11-4-6-18-7-5-11)10-15(21)19-14-3-2-12(16)8-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyVOOGYXHQCHGBEE-UHFFFAOYSA-N
MW313.80 g/mol
LogP2.35
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (PubChem CID 79702201) has the molecular formula C15H21ClFN3O and a molecular weight of 313.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
PubChem CID79702201
Molecular FormulaC15H21ClFN3O
Molecular Weight313.80 g/mol
Exact Mass313.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1F)CC1CCNCC1
InChIInChI=1S/C15H21ClFN3O/c1-20(9-11-4-6-18-7-5-11)10-15(21)19-14-3-2-12(16)8-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyVOOGYXHQCHGBEE-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79701270
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (CID 79702201) is N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1F)CC1CCNCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The InChIKey is VOOGYXHQCHGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O/c1-20(9-11-4-6-18-7-5-11)10-15(21)19-14-3-2-12(16)8-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide has a molecular weight of 313.80 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 79702201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).