2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

C22H18N2O5 — CID 982164

IUPAC2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyJAMCNYIBSTYVKI-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.90
Rot. Bonds6

About 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 982164) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID982164
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyJAMCNYIBSTYVKI-UHFFFAOYSA-N
XLogP3.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (CID 982164) is 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is JAMCNYIBSTYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 982164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).