N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide

C19H20ClNO5 — CID 2521191

IUPACN-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC
InChIInChI=1S/C19H20ClNO5/c1-3-7-24-18-14(20)8-12(9-17(18)23-4-2)19(22)21-13-5-6-15-16(10-13)26-11-25-15/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyUCAQHDYILMOCNP-UHFFFAOYSA-N
MW377.82 g/mol
LogP4.51
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide

N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide (PubChem CID 2521191) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
PubChem CID2521191
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC
InChIInChI=1S/C19H20ClNO5/c1-3-7-24-18-14(20)8-12(9-17(18)23-4-2)19(22)21-13-5-6-15-16(10-13)26-11-25-15/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyUCAQHDYILMOCNP-UHFFFAOYSA-N
XLogP4.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-5-ethoxy-N-ethyl-4-propoxybenzamide
CID 55372162
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
CID 55484306
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide (CID 2521191) is N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The InChIKey is UCAQHDYILMOCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-3-7-24-18-14(20)8-12(9-17(18)23-4-2)19(22)21-13-5-6-15-16(10-13)26-11-25-15/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide?
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide has a molecular weight of 377.82 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 2521191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).