4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide

C17H16F3N3O — CID 113112770

IUPAC4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-13-6-5-12(11-15(13)20)22-7-9-23(10-8-22)17(24)21-16-4-2-1-3-14(16)19/h1-6,11H,7-10H2,(H,21,24)
InChIKeyRNAPCZOBMXDYLT-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.46
Rot. Bonds2

About 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide

4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113112770) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID113112770
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-13-6-5-12(11-15(13)20)22-7-9-23(10-8-22)17(24)21-16-4-2-1-3-14(16)19/h1-6,11H,7-10H2,(H,21,24)
InChIKeyRNAPCZOBMXDYLT-UHFFFAOYSA-N
XLogP3.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112754
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91077574
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 113112770) is 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccccc1F)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is RNAPCZOBMXDYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-13-6-5-12(11-15(13)20)22-7-9-23(10-8-22)17(24)21-16-4-2-1-3-14(16)19/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).