4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid

C23H17NO3 — CID 143780380

IUPAC4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid
SMILESC=C1c2ccccc2-c2cccc(C(=O)Nc3cc(C(=O)O)ccc3C)c21
InChIInChI=1S/C23H17NO3/c1-13-10-11-15(23(26)27)12-20(13)24-22(25)19-9-5-8-18-17-7-4-3-6-16(17)14(2)21(18)19/h3-12H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyIYYZSQXASNYVTD-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.99
Rot. Bonds3

About 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid

4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid (PubChem CID 143780380) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid
PubChem CID143780380
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid
SMILESC=C1c2ccccc2-c2cccc(C(=O)Nc3cc(C(=O)O)ccc3C)c21
InChIInChI=1S/C23H17NO3/c1-13-10-11-15(23(26)27)12-20(13)24-22(25)19-9-5-8-18-17-7-4-3-6-16(17)14(2)21(18)19/h3-12H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyIYYZSQXASNYVTD-UHFFFAOYSA-N
XLogP4.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590008
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid (CID 143780380) is 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid is C=C1c2ccccc2-c2cccc(C(=O)Nc3cc(C(=O)O)ccc3C)c21.
What is the InChIKey of 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid?
The InChIKey is IYYZSQXASNYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-13-10-11-15(23(26)27)12-20(13)24-22(25)19-9-5-8-18-17-7-4-3-6-16(17)14(2)21(18)19/h3-12H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid?
4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid has a molecular weight of 355.39 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 143780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).