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

C17H17ClFN3O — CID 108896638

IUPACN-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-7-4-8-15(19)16(14)20-17(23)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23)
InChIKeyHNOXQJYDARPWCW-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.83
Rot. Bonds2

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

N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 108896638) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID108896638
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-7-4-8-15(19)16(14)20-17(23)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23)
InChIKeyHNOXQJYDARPWCW-UHFFFAOYSA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
CID 4985902

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide (CID 108896638) is N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is HNOXQJYDARPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-14-7-4-8-15(19)16(14)20-17(23)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23).
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide?
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.83, 2 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-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 108896638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).