4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

C19H21ClN2O3 — CID 109043950

IUPAC4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NCC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12(2)11-21-18(23)13-4-6-14(7-5-13)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyARJHDGWTRSKGDA-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.99
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109043950) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
PubChem CID109043950
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NCC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12(2)11-21-18(23)13-4-6-14(7-5-13)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyARJHDGWTRSKGDA-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958078
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (CID 109043950) is 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NCC(C)C)cc2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is ARJHDGWTRSKGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(2)11-21-18(23)13-4-6-14(7-5-13)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).