2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid

C15H14BrClN2O2 — CID 3844549

IUPAC2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
SMILESNc1ccc(Br)cc1C(NCC(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-9-5-6-13(18)11(7-9)15(19-8-14(20)21)10-3-1-2-4-12(10)17/h1-7,15,19H,8,18H2,(H,20,21)
InChIKeyIOUGWNXFQMYDSI-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.45
Rot. Bonds5

About 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid

2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid (PubChem CID 3844549) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
PubChem CID3844549
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
SMILESNc1ccc(Br)cc1C(NCC(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-9-5-6-13(18)11(7-9)15(19-8-14(20)21)10-3-1-2-4-12(10)17/h1-7,15,19H,8,18H2,(H,20,21)
InChIKeyIOUGWNXFQMYDSI-UHFFFAOYSA-N
XLogP3.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.45
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-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide
CID 1106502
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
methyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-(2-chlorophenyl)methyl]amino]acetate
CID 3108122
3-[(S)-(2-amino-5-bromophenyl)-phenylmethyl]-1,1-dimethylurea
CID 40598667
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
1-(2-amino-5-bromophenyl)-1-(2-aminophenyl)propan-2-one
CID 174809504
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid (CID 3844549) is 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid is Nc1ccc(Br)cc1C(NCC(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid?
The InChIKey is IOUGWNXFQMYDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-9-5-6-13(18)11(7-9)15(19-8-14(20)21)10-3-1-2-4-12(10)17/h1-7,15,19H,8,18H2,(H,20,21).
What are the key properties of 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid?
2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid has a molecular weight of 369.65 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 3844549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).