2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid

C20H20N2O4 — CID 119351711

IUPAC2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C20H20N2O4/c1-22(20(26)14-9-10-14)17-8-3-2-7-16(17)19(25)21-15-6-4-5-13(11-15)12-18(23)24/h2-8,11,14H,9-10,12H2,1H3,(H,21,25)(H,23,24)
InChIKeyYWEFLUTZZTVIBN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds6

About 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid

2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid (PubChem CID 119351711) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
PubChem CID119351711
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C20H20N2O4/c1-22(20(26)14-9-10-14)17-8-3-2-7-16(17)19(25)21-15-6-4-5-13(11-15)12-18(23)24/h2-8,11,14H,9-10,12H2,1H3,(H,21,25)(H,23,24)
InChIKeyYWEFLUTZZTVIBN-UHFFFAOYSA-N
XLogP2.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride
CID 119420415
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350042
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid (CID 119351711) is 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid is CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid?
The InChIKey is YWEFLUTZZTVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22(20(26)14-9-10-14)17-8-3-2-7-16(17)19(25)21-15-6-4-5-13(11-15)12-18(23)24/h2-8,11,14H,9-10,12H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid?
2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).