3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide

C21H26ClNO5 — CID 55658078

IUPAC3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCCOC)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO5/c1-4-10-28-20-18(22)13-15(14-19(20)26-5-2)21(24)23-16-6-8-17(9-7-16)27-12-11-25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24)
InChIKeyNFHBHBODNITJKX-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.80
Rot. Bonds11

About 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide (PubChem CID 55658078) has the molecular formula C21H26ClNO5 and a molecular weight of 407.89 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
PubChem CID55658078
Molecular FormulaC21H26ClNO5
Molecular Weight407.89 g/mol
Exact Mass407.15
IUPAC Name3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCCOC)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO5/c1-4-10-28-20-18(22)13-15(14-19(20)26-5-2)21(24)23-16-6-8-17(9-7-16)27-12-11-25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24)
InChIKeyNFHBHBODNITJKX-UHFFFAOYSA-N
XLogP4.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
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-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
CID 55484306
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide (CID 55658078) is 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(OCCOC)cc2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide?
The InChIKey is NFHBHBODNITJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO5/c1-4-10-28-20-18(22)13-15(14-19(20)26-5-2)21(24)23-16-6-8-17(9-7-16)27-12-11-25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24).
What are the key properties of 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide has a molecular weight of 407.89 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 55658078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).