3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide

C14H20ClNO4 — CID 78856166

IUPAC3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C14H20ClNO4/c1-4-5-20-13-11(15)6-10(7-12(13)19-3)14(18)16-8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyAABUQDUYRLIRMR-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.25
Rot. Bonds7

About 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide

3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide (PubChem CID 78856166) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
PubChem CID78856166
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C14H20ClNO4/c1-4-5-20-13-11(15)6-10(7-12(13)19-3)14(18)16-8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyAABUQDUYRLIRMR-UHFFFAOYSA-N
XLogP2.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
CID 51145070
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 60587424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide (CID 78856166) is 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(C)O)cc1OC.
What is the InChIKey of 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is AABUQDUYRLIRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-4-5-20-13-11(15)6-10(7-12(13)19-3)14(18)16-8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide?
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 301.77 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 78856166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).