4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide

C17H25ClN2O3 — CID 119693448

IUPAC4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C17H25ClN2O3/c1-22-16-11-15(19)14(18)10-13(16)17(21)20-8-5-9-23-12-6-3-2-4-7-12/h10-12H,2-9,19H2,1H3,(H,20,21)
InChIKeyXDBMOCHLEXSXHT-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.40
Rot. Bonds7

About 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide

4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide (PubChem CID 119693448) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
PubChem CID119693448
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C17H25ClN2O3/c1-22-16-11-15(19)14(18)10-13(16)17(21)20-8-5-9-23-12-6-3-2-4-7-12/h10-12H,2-9,19H2,1H3,(H,20,21)
InChIKeyXDBMOCHLEXSXHT-UHFFFAOYSA-N
XLogP3.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
CID 119886652
4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride
CID 70076286
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
4-amino-5-chloro-2-methoxy-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 119839640
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide (CID 119693448) is 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide?
The InChIKey is XDBMOCHLEXSXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-22-16-11-15(19)14(18)10-13(16)17(21)20-8-5-9-23-12-6-3-2-4-7-12/h10-12H,2-9,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide?
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide has a molecular weight of 340.85 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 119693448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).