4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide

C25H25ClFN3O — CID 92768972

IUPAC4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H25ClFN3O/c1-18-7-12-22(27)23(17-18)28-25(31)30-15-13-29(14-16-30)24(19-5-3-2-4-6-19)20-8-10-21(26)11-9-20/h2-12,17,24H,13-16H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyPMZAKTBBYNJSCA-XMMPIXPASA-N
MW437.95 g/mol
LogP5.73
Rot. Bonds4

About 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide

4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 92768972) has the molecular formula C25H25ClFN3O and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
PubChem CID92768972
Molecular FormulaC25H25ClFN3O
Molecular Weight437.95 g/mol
Exact Mass437.17
IUPAC Name4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H25ClFN3O/c1-18-7-12-22(27)23(17-18)28-25(31)30-15-13-29(14-16-30)24(19-5-3-2-4-6-19)20-8-10-21(26)11-9-20/h2-12,17,24H,13-16H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyPMZAKTBBYNJSCA-XMMPIXPASA-N
XLogP5.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
4-[(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 46100839
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 92769484
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 4984483
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide (CID 92768972) is 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide is Cc1ccc(F)c(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PMZAKTBBYNJSCA-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25ClFN3O/c1-18-7-12-22(27)23(17-18)28-25(31)30-15-13-29(14-16-30)24(19-5-3-2-4-6-19)20-8-10-21(26)11-9-20/h2-12,17,24H,13-16H2,1H3,(H,28,31)/t24-/m1/s1.
What are the key properties of 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide?
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 92768972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).