3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide

C14H17BrClN3O2 — CID 107940507

IUPAC3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
SMILESN/C(=N/O)C1(NC(=O)c2cc(Cl)cc(Br)c2)CCCCC1
InChIInChI=1S/C14H17BrClN3O2/c15-10-6-9(7-11(16)8-10)12(20)18-14(13(17)19-21)4-2-1-3-5-14/h6-8,21H,1-5H2,(H2,17,19)(H,18,20)
InChIKeyKZJDAPHRGBHWOT-UHFFFAOYSA-N
MW374.67 g/mol
LogP3.28
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide

3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide (PubChem CID 107940507) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
PubChem CID107940507
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC Name3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
SMILESN/C(=N/O)C1(NC(=O)c2cc(Cl)cc(Br)c2)CCCCC1
InChIInChI=1S/C14H17BrClN3O2/c15-10-6-9(7-11(16)8-10)12(20)18-14(13(17)19-21)4-2-1-3-5-14/h6-8,21H,1-5H2,(H2,17,19)(H,18,20)
InChIKeyKZJDAPHRGBHWOT-UHFFFAOYSA-N
XLogP3.28
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-3-fluoro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]benzamide
CID 76914012
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide (CID 107940507) is 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide is N/C(=N/O)C1(NC(=O)c2cc(Cl)cc(Br)c2)CCCCC1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide?
The InChIKey is KZJDAPHRGBHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O2/c15-10-6-9(7-11(16)8-10)12(20)18-14(13(17)19-21)4-2-1-3-5-14/h6-8,21H,1-5H2,(H2,17,19)(H,18,20).
What are the key properties of 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide?
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide has a molecular weight of 374.67 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide is sourced from PubChem (CID 107940507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).