5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide

C15H20ClN3O2 — CID 4176736

IUPAC5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c1-21-13-8-7-10(16)9-12(13)14(20)19-15(17)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,17,18,19,20)
InChIKeyBNQOUPFVEFDTRJ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide

5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide (PubChem CID 4176736) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide
PubChem CID4176736
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c1-21-13-8-7-10(16)9-12(13)14(20)19-15(17)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,17,18,19,20)
InChIKeyBNQOUPFVEFDTRJ-UHFFFAOYSA-N
XLogP2.73
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
5-chloro-2-methoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 6533231
5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide (CID 4176736) is 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide?
The InChIKey is BNQOUPFVEFDTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-21-13-8-7-10(16)9-12(13)14(20)19-15(17)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide?
5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide has a molecular weight of 309.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide is sourced from PubChem (CID 4176736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).