5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid

C18H15BrN2O4 — CID 17018719

IUPAC5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15BrN2O4/c19-12-6-7-15(14(9-12)18(24)25)21-17(23)11-2-1-3-13(8-11)20-16(22)10-4-5-10/h1-3,6-10H,4-5H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyTVXPMJBVJPXBGU-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.75
Rot. Bonds5

About 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid

5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid (PubChem CID 17018719) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
PubChem CID17018719
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC Name5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15BrN2O4/c19-12-6-7-15(14(9-12)18(24)25)21-17(23)11-2-1-3-13(8-11)20-16(22)10-4-5-10/h1-3,6-10H,4-5H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyTVXPMJBVJPXBGU-UHFFFAOYSA-N
XLogP3.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
CID 17172311
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid (CID 17018719) is 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The InChIKey is TVXPMJBVJPXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4/c19-12-6-7-15(14(9-12)18(24)25)21-17(23)11-2-1-3-13(8-11)20-16(22)10-4-5-10/h1-3,6-10H,4-5H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid has a molecular weight of 403.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 17018719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).