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

C17H15ClF3N3O — CID 113113338

IUPAC4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H15ClF3N3O/c18-13-10-12(2-4-14(13)19)23-5-7-24(8-6-23)17(25)22-11-1-3-15(20)16(21)9-11/h1-4,9-10H,5-8H2,(H,22,25)
InChIKeyRPMRDTKEIUKGLC-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.11
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113113338) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113113338
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H15ClF3N3O/c18-13-10-12(2-4-14(13)19)23-5-7-24(8-6-23)17(25)22-11-1-3-15(20)16(21)9-11/h1-4,9-10H,5-8H2,(H,22,25)
InChIKeyRPMRDTKEIUKGLC-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
methyl 4-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114382
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide (CID 113113338) is 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is RPMRDTKEIUKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c18-13-10-12(2-4-14(13)19)23-5-7-24(8-6-23)17(25)22-11-1-3-15(20)16(21)9-11/h1-4,9-10H,5-8H2,(H,22,25).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).