2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid

C15H13BrN2O3 — CID 63118172

IUPAC2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
SMILESNc1ccccc1N(CC(=O)O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3/c16-11-7-5-10(6-8-11)15(21)18(9-14(19)20)13-4-2-1-3-12(13)17/h1-8H,9,17H2,(H,19,20)
InChIKeyVHRCGQYYHNJMGJ-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid

2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid (PubChem CID 63118172) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
PubChem CID63118172
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
SMILESNc1ccccc1N(CC(=O)O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3/c16-11-7-5-10(6-8-11)15(21)18(9-14(19)20)13-4-2-1-3-12(13)17/h1-8H,9,17H2,(H,19,20)
InChIKeyVHRCGQYYHNJMGJ-UHFFFAOYSA-N
XLogP2.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-(3-iodobenzoyl)anilino)acetic acid
CID 63118221
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
CID 63118087
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-(2-aminophenyl)-3-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 43547802
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103017877

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid (CID 63118172) is 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid is Nc1ccccc1N(CC(=O)O)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid?
The InChIKey is VHRCGQYYHNJMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-7-5-10(6-8-11)15(21)18(9-14(19)20)13-4-2-1-3-12(13)17/h1-8H,9,17H2,(H,19,20).
What are the key properties of 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid?
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid has a molecular weight of 349.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid is sourced from PubChem (CID 63118172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).