1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide

C23H20Cl2N2O3 — CID 71608078

IUPAC1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-30-21-9-8-17(22(28)26-13-15-4-2-6-18(24)10-15)12-20(21)23(29)27-14-16-5-3-7-19(25)11-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyRQBGVQMGCBTYQI-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.86
Rot. Bonds7

About 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 71608078) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
PubChem CID71608078
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-30-21-9-8-17(22(28)26-13-15-4-2-6-18(24)10-15)12-20(21)23(29)27-14-16-5-3-7-19(25)11-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyRQBGVQMGCBTYQI-UHFFFAOYSA-N
XLogP4.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide (CID 71608078) is 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is RQBGVQMGCBTYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-30-21-9-8-17(22(28)26-13-15-4-2-6-18(24)10-15)12-20(21)23(29)27-14-16-5-3-7-19(25)11-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 443.33 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 71608078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).