3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide

C25H26ClN3O2 — CID 44524315

IUPAC3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCNCC1
InChIInChI=1S/C25H26ClN3O2/c1-31-24-9-8-19(14-21(24)17-29-12-10-27-11-13-29)18-4-3-7-23(16-18)28-25(30)20-5-2-6-22(26)15-20/h2-9,14-16,27H,10-13,17H2,1H3,(H,28,30)
InChIKeyILAIJMYYTPNPIN-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.67
Rot. Bonds6

About 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide

3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide (PubChem CID 44524315) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide
PubChem CID44524315
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCNCC1
InChIInChI=1S/C25H26ClN3O2/c1-31-24-9-8-19(14-21(24)17-29-12-10-27-11-13-29)18-4-3-7-23(16-18)28-25(30)20-5-2-6-22(26)15-20/h2-9,14-16,27H,10-13,17H2,1H3,(H,28,30)
InChIKeyILAIJMYYTPNPIN-UHFFFAOYSA-N
XLogP4.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524328
3-chloro-N-[4-[4-methoxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524150
3-cyano-N-[3-[4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524330
4-cyano-N-[3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524310
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
2-methoxy-4-(1-methylpyrazol-4-yl)-N-[3-[[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 135143383
N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 55830115
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121
3-chloro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524370
1-[3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 9258775
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide (CID 44524315) is 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide is COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCNCC1.
What is the InChIKey of 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide?
The InChIKey is ILAIJMYYTPNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-24-9-8-19(14-21(24)17-29-12-10-27-11-13-29)18-4-3-7-23(16-18)28-25(30)20-5-2-6-22(26)15-20/h2-9,14-16,27H,10-13,17H2,1H3,(H,28,30).
What are the key properties of 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide?
3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide has a molecular weight of 435.96 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 44524315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).