2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid

C17H15NO5 — CID 59081765

IUPAC2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
SMILESCCOC(=O)Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c1-2-23-17(22)18-12-9-7-11(8-10-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyMVXLPFXNDQSGMT-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid

2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid (PubChem CID 59081765) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
PubChem CID59081765
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
SMILESCCOC(=O)Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H15NO5/c1-2-23-17(22)18-12-9-7-11(8-10-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyMVXLPFXNDQSGMT-UHFFFAOYSA-N
XLogP3.18
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
ethyl benzoate;phthalic acid
CID 159584831
ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
CID 9427411
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid?
The IUPAC name of 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid (CID 59081765) is 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid.
What is the SMILES notation for 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid?
The canonical SMILES for 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid is CCOC(=O)Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid?
The InChIKey is MVXLPFXNDQSGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-2-23-17(22)18-12-9-7-11(8-10-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid?
2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid has a molecular weight of 313.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid is sourced from PubChem (CID 59081765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).