4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate

C22H17N2O5- — CID 4077385

IUPAC4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
SMILESCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)c1
InChIInChI=1S/C22H18N2O5/c1-29-19-7-3-5-16(13-19)21(26)24-18-6-2-4-15(12-18)20(25)23-17-10-8-14(9-11-17)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/p-1
InChIKeyYXCWSGZFSAPDRD-UHFFFAOYSA-M
MW389.39 g/mol
LogP2.56
Rot. Bonds6

About 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate

4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate (PubChem CID 4077385) has the molecular formula C22H17N2O5- and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
PubChem CID4077385
Molecular FormulaC22H17N2O5-
Molecular Weight389.39 g/mol
Exact Mass389.11
IUPAC Name4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
SMILESCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)c1
InChIInChI=1S/C22H18N2O5/c1-29-19-7-3-5-16(13-19)21(26)24-18-6-2-4-15(12-18)20(25)23-17-10-8-14(9-11-17)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/p-1
InChIKeyYXCWSGZFSAPDRD-UHFFFAOYSA-M
XLogP2.56
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate?
The IUPAC name of 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate (CID 4077385) is 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate is COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)c1.
What is the InChIKey of 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate?
The InChIKey is YXCWSGZFSAPDRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N2O5/c1-29-19-7-3-5-16(13-19)21(26)24-18-6-2-4-15(12-18)20(25)23-17-10-8-14(9-11-17)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/p-1.
What are the key properties of 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate?
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate has a molecular weight of 389.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 4077385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).