3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide

C18H26ClNO4 — CID 78767621

IUPAC3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H26ClNO4/c1-11(2)10-24-17-15(19)8-12(9-16(17)23-3)18(22)20-13-4-6-14(21)7-5-13/h8-9,11,13-14,21H,4-7,10H2,1-3H3,(H,20,22)
InChIKeySPHRCJMTWJQJEB-UHFFFAOYSA-N
MW355.86 g/mol
LogP3.42
Rot. Bonds6

About 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 78767621) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID78767621
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Name3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H26ClNO4/c1-11(2)10-24-17-15(19)8-12(9-16(17)23-3)18(22)20-13-4-6-14(21)7-5-13/h8-9,11,13-14,21H,4-7,10H2,1-3H3,(H,20,22)
InChIKeySPHRCJMTWJQJEB-UHFFFAOYSA-N
XLogP3.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 95782555
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide (CID 78767621) is 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)NC2CCC(O)CC2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is SPHRCJMTWJQJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-11(2)10-24-17-15(19)8-12(9-16(17)23-3)18(22)20-13-4-6-14(21)7-5-13/h8-9,11,13-14,21H,4-7,10H2,1-3H3,(H,20,22).
What are the key properties of 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 355.86 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 78767621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).