N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide

C22H24ClFN4O3 — CID 33224377

IUPACN-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClFN4O3/c1-26(2)20(29)14-27-9-11-28(12-10-27)22(31)18-8-5-16(23)13-19(18)25-21(30)15-3-6-17(24)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyXNFWSUFRQBORIX-UHFFFAOYSA-N
MW446.91 g/mol
LogP2.58
Rot. Bonds5

About N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide

N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide (PubChem CID 33224377) has the molecular formula C22H24ClFN4O3 and a molecular weight of 446.91 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
PubChem CID33224377
Molecular FormulaC22H24ClFN4O3
Molecular Weight446.91 g/mol
Exact Mass446.15
IUPAC NameN-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClFN4O3/c1-26(2)20(29)14-27-9-11-28(12-10-27)22(31)18-8-5-16(23)13-19(18)25-21(30)15-3-6-17(24)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyXNFWSUFRQBORIX-UHFFFAOYSA-N
XLogP2.58
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
CID 24668169
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318888
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(4-fluorobenzoyl)amino]quinoline-4-carboxylic acid
CID 50784045
4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 6920712
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
2,4-dichloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46472867
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide (CID 33224377) is N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide is CN(C)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The InChIKey is XNFWSUFRQBORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O3/c1-26(2)20(29)14-27-9-11-28(12-10-27)22(31)18-8-5-16(23)13-19(18)25-21(30)15-3-6-17(24)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,30).
What are the key properties of N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide has a molecular weight of 446.91 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 33224377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).