2-(3-aminophenyl)acetic acid;2-phenylacetamide

C16H18N2O3 — CID 157497347

IUPAC2-(3-aminophenyl)acetic acid;2-phenylacetamide
SMILESNC(=O)Cc1ccccc1.Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H9NO2.C8H9NO/c9-7-3-1-2-6(4-7)5-8(10)11;9-8(10)6-7-4-2-1-3-5-7/h1-4H,5,9H2,(H,10,11);1-5H,6H2,(H2,9,10)
InChIKeyBXZKSNMHYGEKJA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.61
Rot. Bonds4

About 2-(3-aminophenyl)acetic acid;2-phenylacetamide

2-(3-aminophenyl)acetic acid;2-phenylacetamide (PubChem CID 157497347) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)acetic acid;2-phenylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)acetic acid;2-phenylacetamide
PubChem CID157497347
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-aminophenyl)acetic acid;2-phenylacetamide
SMILESNC(=O)Cc1ccccc1.Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H9NO2.C8H9NO/c9-7-3-1-2-6(4-7)5-8(10)11;9-8(10)6-7-4-2-1-3-5-7/h1-4H,5,9H2,(H,10,11);1-5H,6H2,(H2,9,10)
InChIKeyBXZKSNMHYGEKJA-UHFFFAOYSA-N
XLogP1.61
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(3-aminophenyl)acetic acid;ethyl 4-aminobenzoate
CID 70629829
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)acetic acid;2-phenylacetamide?
The IUPAC name of 2-(3-aminophenyl)acetic acid;2-phenylacetamide (CID 157497347) is 2-(3-aminophenyl)acetic acid;2-phenylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)acetic acid;2-phenylacetamide?
The canonical SMILES for 2-(3-aminophenyl)acetic acid;2-phenylacetamide is NC(=O)Cc1ccccc1.Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-aminophenyl)acetic acid;2-phenylacetamide?
The InChIKey is BXZKSNMHYGEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C8H9NO/c9-7-3-1-2-6(4-7)5-8(10)11;9-8(10)6-7-4-2-1-3-5-7/h1-4H,5,9H2,(H,10,11);1-5H,6H2,(H2,9,10).
What are the key properties of 2-(3-aminophenyl)acetic acid;2-phenylacetamide?
2-(3-aminophenyl)acetic acid;2-phenylacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)acetic acid;2-phenylacetamide is sourced from PubChem (CID 157497347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).