3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide

C18H19ClN2O3 — CID 59265083

IUPAC3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NC(C)C)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)20-17(22)12-4-9-16(24-3)15(10-12)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyLCGBTUHIQMJHTB-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.74
Rot. Bonds5

About 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide

3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 59265083) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID59265083
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NC(C)C)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)20-17(22)12-4-9-16(24-3)15(10-12)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyLCGBTUHIQMJHTB-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
CID 23141504
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
4-chloro-N-propan-2-ylbenzamide
CID 24045
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 59265083) is 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide is COc1ccc(C(=O)NC(C)C)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is LCGBTUHIQMJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)20-17(22)12-4-9-16(24-3)15(10-12)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide?
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 59265083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).