N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C18H24ClFN4O2 — CID 45281448

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1F)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H24ClFN4O2/c1-12(18(26)22-16-5-2-13(19)10-15(16)20)24-8-6-23(7-9-24)11-17(25)21-14-3-4-14/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyMKVFITQZSRIJOX-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.70
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 45281448) has the molecular formula C18H24ClFN4O2 and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID45281448
Molecular FormulaC18H24ClFN4O2
Molecular Weight382.87 g/mol
Exact Mass382.16
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1F)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H24ClFN4O2/c1-12(18(26)22-16-5-2-13(19)10-15(16)20)24-8-6-23(7-9-24)11-17(25)21-14-3-4-14/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyMKVFITQZSRIJOX-UHFFFAOYSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 30740405
N-cyclopropyl-2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037820
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860
(2S)-N-(4-chloro-2-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739460
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 45281448) is N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1F)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is MKVFITQZSRIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN4O2/c1-12(18(26)22-16-5-2-13(19)10-15(16)20)24-8-6-23(7-9-24)11-17(25)21-14-3-4-14/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 382.87 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 45281448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).