N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide

C21H25ClN2O4 — CID 60576494

IUPACN-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl
InChIInChI=1S/C21H25ClN2O4/c1-4-11-23-21(26)16-9-8-15(13-17(16)22)24-20(25)14-7-10-18(27-5-2)19(12-14)28-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCQQVIKKZCUPPGB-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.53
Rot. Bonds9

About N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide

N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide (PubChem CID 60576494) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
PubChem CID60576494
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl
InChIInChI=1S/C21H25ClN2O4/c1-4-11-23-21(26)16-9-8-15(13-17(16)22)24-20(25)14-7-10-18(27-5-2)19(12-14)28-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCQQVIKKZCUPPGB-UHFFFAOYSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide (CID 60576494) is N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide is CCCNC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide?
The InChIKey is CQQVIKKZCUPPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-4-11-23-21(26)16-9-8-15(13-17(16)22)24-20(25)14-7-10-18(27-5-2)19(12-14)28-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide?
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 60576494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).