1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

C17H19ClFN3O3 — CID 108974500

IUPAC1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C17H19ClFN3O3/c1-11(23)21-6-8-22(9-7-21)16(25)17(4-5-17)15(24)20-12-2-3-14(19)13(18)10-12/h2-3,10H,4-9H2,1H3,(H,20,24)
InChIKeyLXVIEDRPAFNPKI-UHFFFAOYSA-N
MW367.81 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 108974500) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID108974500
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC Name1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C17H19ClFN3O3/c1-11(23)21-6-8-22(9-7-21)16(25)17(4-5-17)15(24)20-12-2-3-14(19)13(18)10-12/h2-3,10H,4-9H2,1H3,(H,20,24)
InChIKeyLXVIEDRPAFNPKI-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
1-(4-acetylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974517
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (CID 108974500) is 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LXVIEDRPAFNPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3/c1-11(23)21-6-8-22(9-7-21)16(25)17(4-5-17)15(24)20-12-2-3-14(19)13(18)10-12/h2-3,10H,4-9H2,1H3,(H,20,24).
What are the key properties of 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).