(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C20H23ClFN3O — CID 9431500

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyCPBDLZWNOFHBOR-OAHLLOKOSA-N
MW375.88 g/mol
LogP3.94
Rot. Bonds4

About (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 9431500) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID9431500
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyCPBDLZWNOFHBOR-OAHLLOKOSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431499
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019505
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 9431500) is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is CPBDLZWNOFHBOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 375.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9431500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).