3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

C22H18ClFN2O2 — CID 109054705

IUPAC3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN2O2/c1-14-11-18(23)7-10-20(14)26-22(28)17-4-2-3-16(12-17)21(27)25-13-15-5-8-19(24)9-6-15/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyLMRXQZRVQVHMBJ-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.97
Rot. Bonds5

About 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054705) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054705
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN2O2/c1-14-11-18(23)7-10-20(14)26-22(28)17-4-2-3-16(12-17)21(27)25-13-15-5-8-19(24)9-6-15/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyLMRXQZRVQVHMBJ-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156635
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109054705) is 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is LMRXQZRVQVHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-14-11-18(23)7-10-20(14)26-22(28)17-4-2-3-16(12-17)21(27)25-13-15-5-8-19(24)9-6-15/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).