N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide

C17H18IN3O3 — CID 1289803

IUPACN-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C17H18IN3O3/c1-20-6-8-21(9-7-20)17(23)13-11-12(18)4-5-14(13)19-16(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,19,22)
InChIKeyBKSVSYZYXMIAMI-UHFFFAOYSA-N
MW439.25 g/mol
LogP2.52
Rot. Bonds3

About N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide

N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 1289803) has the molecular formula C17H18IN3O3 and a molecular weight of 439.25 g/mol. Its IUPAC name is N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID1289803
Molecular FormulaC17H18IN3O3
Molecular Weight439.25 g/mol
Exact Mass439.04
IUPAC NameN-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C17H18IN3O3/c1-20-6-8-21(9-7-20)17(23)13-11-12(18)4-5-14(13)19-16(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,19,22)
InChIKeyBKSVSYZYXMIAMI-UHFFFAOYSA-N
XLogP2.52
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 1304777
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 6460180
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
(2-hydroxy-5-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103600079
2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 1289850
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4,5-dimethoxyphenyl]furan-2-carboxamide;hydrochloride
CID 120657177
N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2197419
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906

Frequently Asked Questions

What is the IUPAC name of N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide (CID 1289803) is N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide is CN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is BKSVSYZYXMIAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3O3/c1-20-6-8-21(9-7-20)17(23)13-11-12(18)4-5-14(13)19-16(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,19,22).
What are the key properties of N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 439.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).