N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide

C12H15ClFN3O — CID 108896475

IUPACN-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFN3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyLKZLDHQNMIOIMZ-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.26
Rot. Bonds1

About N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide

N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 108896475) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID108896475
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFN3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyLKZLDHQNMIOIMZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 121187174
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide (CID 108896475) is N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is LKZLDHQNMIOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18).
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide?
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 271.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).