N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide

C34H34FN3O2 — CID 42710813

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C34H34FN3O2/c1-26-7-5-6-10-32(26)34(40)38(25-27-11-17-31(35)18-12-27)24-21-36-19-22-37(23-20-36)33(39)30-15-13-29(14-16-30)28-8-3-2-4-9-28/h2-18H,19-25H2,1H3
InChIKeyWDEBIJMZKYHATJ-UHFFFAOYSA-N
MW535.66 g/mol
LogP5.90
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide

N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42710813) has the molecular formula C34H34FN3O2 and a molecular weight of 535.66 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42710813
Molecular FormulaC34H34FN3O2
Molecular Weight535.66 g/mol
Exact Mass535.26
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C34H34FN3O2/c1-26-7-5-6-10-32(26)34(40)38(25-27-11-17-31(35)18-12-27)24-21-36-19-22-37(23-20-36)33(39)30-15-13-29(14-16-30)28-8-3-2-4-9-28/h2-18H,19-25H2,1H3
InChIKeyWDEBIJMZKYHATJ-UHFFFAOYSA-N
XLogP5.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.66
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
CID 42710805
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-3-propan-2-ylurea
CID 42709547
N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
CID 42710253
N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 42709697
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]-3-octylurea
CID 42657771
N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42710143
N-[2-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]ethyl]-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42710281
N-(2-bromophenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 1061079
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 42710256
N-[2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-3-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 42725141

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide (CID 42710813) is N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide is Cc1ccccc1C(=O)N(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is WDEBIJMZKYHATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN3O2/c1-26-7-5-6-10-32(26)34(40)38(25-27-11-17-31(35)18-12-27)24-21-36-19-22-37(23-20-36)33(39)30-15-13-29(14-16-30)28-8-3-2-4-9-28/h2-18H,19-25H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide?
N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 535.66 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42710813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).