N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride

C18H21Cl2N3O3 — CID 119580097

IUPACN-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-11-10-22(7-6-20-11)18(24)15-4-3-13(19)9-16(15)21-17(23)14-5-8-25-12(14)2;/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,23);1H
InChIKeySMNBGWIPLMDEOK-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.35
Rot. Bonds3

About N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride

N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119580097) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119580097
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC NameN-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-11-10-22(7-6-20-11)18(24)15-4-3-13(19)9-16(15)21-17(23)14-5-8-25-12(14)2;/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,23);1H
InChIKeySMNBGWIPLMDEOK-UHFFFAOYSA-N
XLogP3.35
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 119546274
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride (CID 119580097) is N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is SMNBGWIPLMDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3.ClH/c1-11-10-22(7-6-20-11)18(24)15-4-3-13(19)9-16(15)21-17(23)14-5-8-25-12(14)2;/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 398.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119580097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).