4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide

C17H17Cl2FN4O — CID 23856810

IUPAC4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN4O/c1-11-2-3-12(20)8-15(11)22-17(25)24-6-4-23(5-7-24)16-13(18)9-21-10-14(16)19/h2-3,8-10H,4-7H2,1H3,(H,22,25)
InChIKeyOQAGQZRZBMLPCL-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.19
Rot. Bonds2

About 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide

4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide (PubChem CID 23856810) has the molecular formula C17H17Cl2FN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
PubChem CID23856810
Molecular FormulaC17H17Cl2FN4O
Molecular Weight383.25 g/mol
Exact Mass382.08
IUPAC Name4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN4O/c1-11-2-3-12(20)8-15(11)22-17(25)24-6-4-23(5-7-24)16-13(18)9-21-10-14(16)19/h2-3,8-10H,4-7H2,1H3,(H,22,25)
InChIKeyOQAGQZRZBMLPCL-UHFFFAOYSA-N
XLogP4.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23827340
4-(3,5-dichloro-4-pyridinyl)-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 118326998
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide
CID 3772899
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
ethyl 4-[[4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3363290
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide (CID 23856810) is 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide is Cc1ccc(F)cc1NC(=O)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is OQAGQZRZBMLPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN4O/c1-11-2-3-12(20)8-15(11)22-17(25)24-6-4-23(5-7-24)16-13(18)9-21-10-14(16)19/h2-3,8-10H,4-7H2,1H3,(H,22,25).
What are the key properties of 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide?
4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23856810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).