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

C24H28ClFN4O3 — CID 24668169

IUPACN-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN4O3/c1-3-29(4-2)22(31)16-28-11-13-30(14-12-28)24(33)20-10-7-18(25)15-21(20)27-23(32)17-5-8-19(26)9-6-17/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,32)
InChIKeyCCGKXXAHFLGBES-UHFFFAOYSA-N
MW474.96 g/mol
LogP3.36
Rot. Bonds7

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

N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide (PubChem CID 24668169) has the molecular formula C24H28ClFN4O3 and a molecular weight of 474.96 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
PubChem CID24668169
Molecular FormulaC24H28ClFN4O3
Molecular Weight474.96 g/mol
Exact Mass474.18
IUPAC NameN-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN4O3/c1-3-29(4-2)22(31)16-28-11-13-30(14-12-28)24(33)20-10-7-18(25)15-21(20)27-23(32)17-5-8-19(26)9-6-17/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,32)
InChIKeyCCGKXXAHFLGBES-UHFFFAOYSA-N
XLogP3.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
CID 33224377
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55447068
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
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
N-(2-cyano-4-fluorophenyl)-4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepane-1-carboxamide
CID 78894118
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 6920712
N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78828696
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78828711

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide (CID 24668169) is N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide is CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
The InChIKey is CCGKXXAHFLGBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O3/c1-3-29(4-2)22(31)16-28-11-13-30(14-12-28)24(33)20-10-7-18(25)15-21(20)27-23(32)17-5-8-19(26)9-6-17/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,32).
What are the key properties of N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide?
N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide has a molecular weight of 474.96 g/mol, XLogP of 3.36, 7 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-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 24668169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).