2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C18H20ClN3O3 — CID 109004660

IUPAC2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-13-11-14(19)4-5-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyCPSTVPVXCKJFIU-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004660) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004660
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-13-11-14(19)4-5-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyCPSTVPVXCKJFIU-UHFFFAOYSA-N
XLogP2.64
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
2-(4-chloro-2-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004042
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
3-(3-chloro-4-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030101
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004660) is 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is Cc1cc(Cl)ccc1NCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CPSTVPVXCKJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13-11-14(19)4-5-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3.
What are the key properties of 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 361.83 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).