methyl 2-(4-benzamidoanilino)benzoate

C21H18N2O3 — CID 112988422

IUPACmethyl 2-(4-benzamidoanilino)benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h2-14,22H,1H3,(H,23,24)
InChIKeyNPJWNQLAYVHSIG-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.47
Rot. Bonds5

About methyl 2-(4-benzamidoanilino)benzoate

methyl 2-(4-benzamidoanilino)benzoate (PubChem CID 112988422) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 2-(4-benzamidoanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-benzamidoanilino)benzoate
PubChem CID112988422
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 2-(4-benzamidoanilino)benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h2-14,22H,1H3,(H,23,24)
InChIKeyNPJWNQLAYVHSIG-UHFFFAOYSA-N
XLogP4.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
methyl 2-[4-[[4-(N-butylanilino)phenyl]carbamoyl]anilino]benzoate
CID 155134750
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
CID 112988435
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-[4-(butanoylamino)anilino]benzoate
CID 112988411
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
methyl 2-amino-4-benzamidobenzoate
CID 23466425

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-benzamidoanilino)benzoate?
The IUPAC name of methyl 2-(4-benzamidoanilino)benzoate (CID 112988422) is methyl 2-(4-benzamidoanilino)benzoate.
What is the SMILES notation for methyl 2-(4-benzamidoanilino)benzoate?
The canonical SMILES for methyl 2-(4-benzamidoanilino)benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 2-(4-benzamidoanilino)benzoate?
The InChIKey is NPJWNQLAYVHSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h2-14,22H,1H3,(H,23,24).
What are the key properties of methyl 2-(4-benzamidoanilino)benzoate?
methyl 2-(4-benzamidoanilino)benzoate has a molecular weight of 346.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-benzamidoanilino)benzoate is sourced from PubChem (CID 112988422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).