3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide

C21H24ClN3O4 — CID 55484306

IUPAC3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1OCC
InChIInChI=1S/C21H24ClN3O4/c1-3-11-29-19-17(22)12-14(13-18(19)28-4-2)20(26)24-15-5-7-16(8-6-15)25-10-9-23-21(25)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUAKVQRUDHLEQIZ-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.31
Rot. Bonds8

About 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide (PubChem CID 55484306) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
PubChem CID55484306
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1OCC
InChIInChI=1S/C21H24ClN3O4/c1-3-11-29-19-17(22)12-14(13-18(19)28-4-2)20(26)24-15-5-7-16(8-6-15)25-10-9-23-21(25)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUAKVQRUDHLEQIZ-UHFFFAOYSA-N
XLogP4.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
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-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide (CID 55484306) is 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide?
The InChIKey is UAKVQRUDHLEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-3-11-29-19-17(22)12-14(13-18(19)28-4-2)20(26)24-15-5-7-16(8-6-15)25-10-9-23-21(25)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide has a molecular weight of 417.89 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 55484306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).