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

C19H18N2O4 — CID 17172311

IUPAC2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c(C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-11-5-8-16(15(9-11)19(24)25)21-18(23)13-3-2-4-14(10-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyWEIIOEVTNVSIRA-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.29
Rot. Bonds5

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

2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid (PubChem CID 17172311) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
PubChem CID17172311
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c(C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-11-5-8-16(15(9-11)19(24)25)21-18(23)13-3-2-4-14(10-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyWEIIOEVTNVSIRA-UHFFFAOYSA-N
XLogP3.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
CID 17018719
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid (CID 17172311) is 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid?
The InChIKey is WEIIOEVTNVSIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-5-8-16(15(9-11)19(24)25)21-18(23)13-3-2-4-14(10-13)20-17(22)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid?
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 17172311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).