benzoic acid;N-methyl-N-phenylaniline

C20H19NO2 — CID 158055475

IUPACbenzoic acid;N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H13N.C7H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-7(9)6-4-2-1-3-5-6/h2-11H,1H3;1-5H,(H,8,9)
InChIKeyFJZOKIJDUMKPCY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.84
Rot. Bonds3

About benzoic acid;N-methyl-N-phenylaniline

benzoic acid;N-methyl-N-phenylaniline (PubChem CID 158055475) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzoic acid;N-methyl-N-phenylaniline.

Molecular Properties

Compound Namebenzoic acid;N-methyl-N-phenylaniline
PubChem CID158055475
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namebenzoic acid;N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H13N.C7H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-7(9)6-4-2-1-3-5-6/h2-11H,1H3;1-5H,(H,8,9)
InChIKeyFJZOKIJDUMKPCY-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
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4-(3-acetyl-N-methylanilino)benzoic acid
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benzoic acid;methanol
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potassium;benzoic acid;2-methylpropane
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3-fluoro-5-(N-methylanilino)benzoic acid
CID 82537620
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
benzoic acid;methanamine
CID 158244769
benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;λ2-plumbane
CID 174927932

Frequently Asked Questions

What is the IUPAC name of benzoic acid;N-methyl-N-phenylaniline?
The IUPAC name of benzoic acid;N-methyl-N-phenylaniline (CID 158055475) is benzoic acid;N-methyl-N-phenylaniline.
What is the SMILES notation for benzoic acid;N-methyl-N-phenylaniline?
The canonical SMILES for benzoic acid;N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;N-methyl-N-phenylaniline?
The InChIKey is FJZOKIJDUMKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C7H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-7(9)6-4-2-1-3-5-6/h2-11H,1H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;N-methyl-N-phenylaniline?
benzoic acid;N-methyl-N-phenylaniline has a molecular weight of 305.38 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;N-methyl-N-phenylaniline is sourced from PubChem (CID 158055475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).