4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

C25H24ClF2N3O2 — CID 4984483

IUPAC4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24ClF2N3O2/c1-33-23-11-6-19(26)16-22(23)29-25(32)31-14-12-30(13-15-31)24(17-2-7-20(27)8-3-17)18-4-9-21(28)10-5-18/h2-11,16,24H,12-15H2,1H3,(H,29,32)
InChIKeyBTNGTCHIMPOFKM-UHFFFAOYSA-N
MW471.94 g/mol
LogP5.57
Rot. Bonds5

About 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 4984483) has the molecular formula C25H24ClF2N3O2 and a molecular weight of 471.94 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID4984483
Molecular FormulaC25H24ClF2N3O2
Molecular Weight471.94 g/mol
Exact Mass471.15
IUPAC Name4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24ClF2N3O2/c1-33-23-11-6-19(26)16-22(23)29-25(32)31-14-12-30(13-15-31)24(17-2-7-20(27)8-3-17)18-4-9-21(28)10-5-18/h2-11,16,24H,12-15H2,1H3,(H,29,32)
InChIKeyBTNGTCHIMPOFKM-UHFFFAOYSA-N
XLogP5.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
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
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019505

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (CID 4984483) is 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BTNGTCHIMPOFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N3O2/c1-33-23-11-6-19(26)16-22(23)29-25(32)31-14-12-30(13-15-31)24(17-2-7-20(27)8-3-17)18-4-9-21(28)10-5-18/h2-11,16,24H,12-15H2,1H3,(H,29,32).
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 471.94 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).