methyl 4-(N-naphthalen-2-ylanilino)benzoate

C24H19NO2 — CID 165349713

IUPACmethyl 4-(N-naphthalen-2-ylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H19NO2/c1-27-24(26)19-12-14-22(15-13-19)25(21-9-3-2-4-10-21)23-16-11-18-7-5-6-8-20(18)17-23/h2-17H,1H3
InChIKeyVLQCDMGMFWSMKL-UHFFFAOYSA-N
MW353.42 g/mol
LogP6.10
Rot. Bonds4

About methyl 4-(N-naphthalen-2-ylanilino)benzoate

methyl 4-(N-naphthalen-2-ylanilino)benzoate (PubChem CID 165349713) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 4-(N-naphthalen-2-ylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(N-naphthalen-2-ylanilino)benzoate
PubChem CID165349713
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Namemethyl 4-(N-naphthalen-2-ylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H19NO2/c1-27-24(26)19-12-14-22(15-13-19)25(21-9-3-2-4-10-21)23-16-11-18-7-5-6-8-20(18)17-23/h2-17H,1H3
InChIKeyVLQCDMGMFWSMKL-UHFFFAOYSA-N
XLogP6.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
[4-[1,1-bis[4-[4-(N-naphthalen-2-ylanilino)benzoyl]oxyphenyl]propyl]phenyl] 4-(N-naphthalen-2-ylanilino)benzoate
CID 139957847
dimethyl 5-(N-phenylanilino)benzene-1,3-dicarboxylate
CID 132511760
ethane;methyl naphthalene-2-carboxylate
CID 143895262
[4-[1,1-bis[4-[4-(dinaphthalen-2-ylamino)benzoyl]oxyphenyl]ethyl]phenyl] 4-(dinaphthalen-2-ylamino)benzoate
CID 139957827
6-[(E)-1,2-diphenyl-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]-N,N-diphenylnaphthalen-2-amine
CID 58667564
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-naphthalen-2-ylanilino)benzoate?
The IUPAC name of methyl 4-(N-naphthalen-2-ylanilino)benzoate (CID 165349713) is methyl 4-(N-naphthalen-2-ylanilino)benzoate.
What is the SMILES notation for methyl 4-(N-naphthalen-2-ylanilino)benzoate?
The canonical SMILES for methyl 4-(N-naphthalen-2-ylanilino)benzoate is COC(=O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-(N-naphthalen-2-ylanilino)benzoate?
The InChIKey is VLQCDMGMFWSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-27-24(26)19-12-14-22(15-13-19)25(21-9-3-2-4-10-21)23-16-11-18-7-5-6-8-20(18)17-23/h2-17H,1H3.
What are the key properties of methyl 4-(N-naphthalen-2-ylanilino)benzoate?
methyl 4-(N-naphthalen-2-ylanilino)benzoate has a molecular weight of 353.42 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-naphthalen-2-ylanilino)benzoate is sourced from PubChem (CID 165349713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).