3-chloro-5-methoxy-4-propoxy-N-propylbenzamide

C14H20ClNO3 — CID 7333465

IUPAC3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(OCCC)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-4-6-16-14(17)10-8-11(15)13(19-7-5-2)12(9-10)18-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZXCOOAAJDCPSFW-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.28
Rot. Bonds7

About 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide (PubChem CID 7333465) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
PubChem CID7333465
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(OCCC)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-4-6-16-14(17)10-8-11(15)13(19-7-5-2)12(9-10)18-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZXCOOAAJDCPSFW-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide?
The IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide (CID 7333465) is 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide is CCCNC(=O)c1cc(Cl)c(OCCC)c(OC)c1.
What is the InChIKey of 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide?
The InChIKey is ZXCOOAAJDCPSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-6-16-14(17)10-8-11(15)13(19-7-5-2)12(9-10)18-3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide?
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-propoxy-N-propylbenzamide is sourced from PubChem (CID 7333465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).