1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide

C19H21ClN2O2 — CID 109043860

IUPAC1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)11-21-18(23)14-7-9-15(10-8-14)19(24)22-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDGXALYJIUBSAOK-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.66
Rot. Bonds6

About 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide

1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109043860) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
PubChem CID109043860
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)11-21-18(23)14-7-9-15(10-8-14)19(24)22-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDGXALYJIUBSAOK-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9321369
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide (CID 109043860) is 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide is CC(C)CNC(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is DGXALYJIUBSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)11-21-18(23)14-7-9-15(10-8-14)19(24)22-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).