1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid

C22H22Cl2F2IN3O3 — CID 155256227

IUPAC1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid
SMILESFc1cc(I)ccc1Cl.O=C(O)NC1CCC(N2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1
InChIInChI=1S/C16H19ClFN3O3.C6H3ClFI/c17-13-6-5-12(9-14(13)18)21-8-7-20(16(21)24)11-3-1-10(2-4-11)19-15(22)23;7-5-2-1-4(9)3-6(5)8/h5-6,9-11,19H,1-4,7-8H2,(H,22,23);1-3H
InChIKeyGLNSFYCQZWARDC-UHFFFAOYSA-N
MW612.24 g/mol
LogP6.38
Rot. Bonds3

About 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid

1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid (PubChem CID 155256227) has the molecular formula C22H22Cl2F2IN3O3 and a molecular weight of 612.24 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid
PubChem CID155256227
Molecular FormulaC22H22Cl2F2IN3O3
Molecular Weight612.24 g/mol
Exact Mass611.01
IUPAC Name1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid
SMILESFc1cc(I)ccc1Cl.O=C(O)NC1CCC(N2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1
InChIInChI=1S/C16H19ClFN3O3.C6H3ClFI/c17-13-6-5-12(9-14(13)18)21-8-7-20(16(21)24)11-3-1-10(2-4-11)19-15(22)23;7-5-2-1-4(9)3-6(5)8/h5-6,9-11,19H,1-4,7-8H2,(H,22,23);1-3H
InChIKeyGLNSFYCQZWARDC-UHFFFAOYSA-N
XLogP6.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.24
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid?
The IUPAC name of 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid (CID 155256227) is 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid?
The canonical SMILES for 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid is Fc1cc(I)ccc1Cl.O=C(O)NC1CCC(N2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1.
What is the InChIKey of 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid?
The InChIKey is GLNSFYCQZWARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O3.C6H3ClFI/c17-13-6-5-12(9-14(13)18)21-8-7-20(16(21)24)11-3-1-10(2-4-11)19-15(22)23;7-5-2-1-4(9)3-6(5)8/h5-6,9-11,19H,1-4,7-8H2,(H,22,23);1-3H.
What are the key properties of 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid?
1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid has a molecular weight of 612.24 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-iodobenzene;[4-[3-(4-chloro-3-fluorophenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 155256227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).