2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid

C24H21NO5 — CID 158271581

IUPAC2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(OC3CCc4ccccc4O3)cc2)c1
InChIInChI=1S/C24H21NO5/c26-22(27)15-16-4-3-6-19(14-16)25-24(28)18-8-11-20(12-9-18)29-23-13-10-17-5-1-2-7-21(17)30-23/h1-9,11-12,14,23H,10,13,15H2,(H,25,28)(H,26,27)
InChIKeyBYCCWFFTVDFVPK-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.30
Rot. Bonds6

About 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid

2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid (PubChem CID 158271581) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid
PubChem CID158271581
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(OC3CCc4ccccc4O3)cc2)c1
InChIInChI=1S/C24H21NO5/c26-22(27)15-16-4-3-6-19(14-16)25-24(28)18-8-11-20(12-9-18)29-23-13-10-17-5-1-2-7-21(17)30-23/h1-9,11-12,14,23H,10,13,15H2,(H,25,28)(H,26,27)
InChIKeyBYCCWFFTVDFVPK-UHFFFAOYSA-N
XLogP4.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
CID 120538188
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
CID 120688418

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid (CID 158271581) is 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2ccc(OC3CCc4ccccc4O3)cc2)c1.
What is the InChIKey of 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid?
The InChIKey is BYCCWFFTVDFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c26-22(27)15-16-4-3-6-19(14-16)25-24(28)18-8-11-20(12-9-18)29-23-13-10-17-5-1-2-7-21(17)30-23/h1-9,11-12,14,23H,10,13,15H2,(H,25,28)(H,26,27).
What are the key properties of 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid?
2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid has a molecular weight of 403.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 158271581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).