2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid

C18H17NO3 — CID 69315923

IUPAC2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
SMILESCc1ccc(NC(=O)C2CC2)cc1-c1ccccc1C(=O)O
InChIInChI=1S/C18H17NO3/c1-11-6-9-13(19-17(20)12-7-8-12)10-16(11)14-4-2-3-5-15(14)18(21)22/h2-6,9-10,12H,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyYTRSLVCKKOAYDK-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds4

About 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid

2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid (PubChem CID 69315923) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid.

Molecular Properties

Compound Name2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
PubChem CID69315923
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
SMILESCc1ccc(NC(=O)C2CC2)cc1-c1ccccc1C(=O)O
InChIInChI=1S/C18H17NO3/c1-11-6-9-13(19-17(20)12-7-8-12)10-16(11)14-4-2-3-5-15(14)18(21)22/h2-6,9-10,12H,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyYTRSLVCKKOAYDK-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid?
The IUPAC name of 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid (CID 69315923) is 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid.
What is the SMILES notation for 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid?
The canonical SMILES for 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid is Cc1ccc(NC(=O)C2CC2)cc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid?
The InChIKey is YTRSLVCKKOAYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-6-9-13(19-17(20)12-7-8-12)10-16(11)14-4-2-3-5-15(14)18(21)22/h2-6,9-10,12H,7-8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid?
2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid is sourced from PubChem (CID 69315923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).