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

C25H26ClN3O2 — CID 85470727

IUPAC4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCNCC2)c1)c1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C25H26ClN3O2/c26-23-10-9-21(16-24(23)31-18-19-5-2-1-3-6-19)25(30)28-22-8-4-7-20(15-22)17-29-13-11-27-12-14-29/h1-10,15-16,27H,11-14,17-18H2,(H,28,30)
InChIKeyPIFYQCZGEPXXNQ-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.58
Rot. Bonds7

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

4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide (PubChem CID 85470727) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide
PubChem CID85470727
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCNCC2)c1)c1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C25H26ClN3O2/c26-23-10-9-21(16-24(23)31-18-19-5-2-1-3-6-19)25(30)28-22-8-4-7-20(15-22)17-29-13-11-27-12-14-29/h1-10,15-16,27H,11-14,17-18H2,(H,28,30)
InChIKeyPIFYQCZGEPXXNQ-UHFFFAOYSA-N
XLogP4.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
3,4-dichloro-N-[3-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536762
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide
CID 120967927
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
3,4-dichloro-N-[3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44527504
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 120967926
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide (CID 85470727) is 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(CN2CCNCC2)c1)c1ccc(Cl)c(OCc2ccccc2)c1.
What is the InChIKey of 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide?
The InChIKey is PIFYQCZGEPXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c26-23-10-9-21(16-24(23)31-18-19-5-2-1-3-6-19)25(30)28-22-8-4-7-20(15-22)17-29-13-11-27-12-14-29/h1-10,15-16,27H,11-14,17-18H2,(H,28,30).
What are the key properties of 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide?
4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide has a molecular weight of 435.96 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 85470727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).