2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide

C18H18Cl2FN3O — CID 35355092

IUPAC2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H18Cl2FN3O/c1-23-6-8-24(9-7-23)17-5-2-12(19)10-16(17)22-18(25)14-4-3-13(21)11-15(14)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyIMKZKQONYCTTMU-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide

2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide (PubChem CID 35355092) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
PubChem CID35355092
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H18Cl2FN3O/c1-23-6-8-24(9-7-23)17-5-2-12(19)10-16(17)22-18(25)14-4-3-13(21)11-15(14)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyIMKZKQONYCTTMU-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 35355020
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
CID 38917765
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
cyclohexyl 3-[(2-chloro-4-fluoro-3-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 134143930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide (CID 35355092) is 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The InChIKey is IMKZKQONYCTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c1-23-6-8-24(9-7-23)17-5-2-12(19)10-16(17)22-18(25)14-4-3-13(21)11-15(14)20/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide has a molecular weight of 382.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 35355092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).