2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid

C20H20N2O4 — CID 119240303

IUPAC2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)ccc1C(=O)O
InChIInChI=1S/C20H20N2O4/c1-11-9-15(7-8-16(11)20(25)26)22-18(23)13-3-5-14(6-4-13)21-19(24)17-10-12(17)2/h3-9,12,17H,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDDKRYPAXQPIVLP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.54
Rot. Bonds5

About 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid

2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid (PubChem CID 119240303) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
PubChem CID119240303
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)ccc1C(=O)O
InChIInChI=1S/C20H20N2O4/c1-11-9-15(7-8-16(11)20(25)26)22-18(23)13-3-5-14(6-4-13)21-19(24)17-10-12(17)2/h3-9,12,17H,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDDKRYPAXQPIVLP-UHFFFAOYSA-N
XLogP3.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(3-nitrophenyl)benzamide
CID 38763493
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-methyl-4-[[4-(oxan-4-yloxy)benzoyl]amino]benzoic acid
CID 119240450
5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
CID 60657199
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
trans-(1S,2S)-2-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 25344418
methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
CID 78869714
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid (CID 119240303) is 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid is Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is DDKRYPAXQPIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-11-9-15(7-8-16(11)20(25)26)22-18(23)13-3-5-14(6-4-13)21-19(24)17-10-12(17)2/h3-9,12,17H,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid?
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 119240303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).