3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide

C20H23ClN2O4 — CID 23141504

IUPAC3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
SMILESCCC(COC)NC(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O4/c1-4-15(12-26-2)22-19(24)13-5-10-18(27-3)17(11-13)20(25)23-16-8-6-14(21)7-9-16/h5-11,15H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySIJJRFDWPKMKBO-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.76
Rot. Bonds8

About 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide

3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide (PubChem CID 23141504) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
PubChem CID23141504
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
SMILESCCC(COC)NC(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O4/c1-4-15(12-26-2)22-19(24)13-5-10-18(27-3)17(11-13)20(25)23-16-8-6-14(21)7-9-16/h5-11,15H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySIJJRFDWPKMKBO-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157147
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide (CID 23141504) is 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide is CCC(COC)NC(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide?
The InChIKey is SIJJRFDWPKMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-15(12-26-2)22-19(24)13-5-10-18(27-3)17(11-13)20(25)23-16-8-6-14(21)7-9-16/h5-11,15H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide?
3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 23141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).