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

C22H19ClN2O3 — CID 109047359

IUPAC1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUFAGYDZJODJPGX-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.53
Rot. Bonds6

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

1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047359) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109047359
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUFAGYDZJODJPGX-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109047359) is 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is UFAGYDZJODJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).