2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid

C18H17ClN2O2 — CID 68635702

IUPAC2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid
SMILESCCC(Nc1cc(Cl)cc2cc(-c3ccccc3)[nH]c12)C(=O)O
InChIInChI=1S/C18H17ClN2O2/c1-2-14(18(22)23)20-16-10-13(19)8-12-9-15(21-17(12)16)11-6-4-3-5-7-11/h3-10,14,20-21H,2H2,1H3,(H,22,23)
InChIKeyODYFPQMULWECLG-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.76
Rot. Bonds5

About 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid

2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid (PubChem CID 68635702) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid
PubChem CID68635702
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid
SMILESCCC(Nc1cc(Cl)cc2cc(-c3ccccc3)[nH]c12)C(=O)O
InChIInChI=1S/C18H17ClN2O2/c1-2-14(18(22)23)20-16-10-13(19)8-12-9-15(21-17(12)16)11-6-4-3-5-7-11/h3-10,14,20-21H,2H2,1H3,(H,22,23)
InChIKeyODYFPQMULWECLG-UHFFFAOYSA-N
XLogP4.76
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68795923
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-phenyl-1H-indol-7-amine;5-chloro-N-(1-methylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 68761398
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
2-(4-fluoro-3-methylanilino)butanoic acid
CID 64670151
2-(2,6-dibromoanilino)butanoic acid
CID 107597732

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid?
The IUPAC name of 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid (CID 68635702) is 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid?
The canonical SMILES for 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid is CCC(Nc1cc(Cl)cc2cc(-c3ccccc3)[nH]c12)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid?
The InChIKey is ODYFPQMULWECLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-14(18(22)23)20-16-10-13(19)8-12-9-15(21-17(12)16)11-6-4-3-5-7-11/h3-10,14,20-21H,2H2,1H3,(H,22,23).
What are the key properties of 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid?
2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid has a molecular weight of 328.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid is sourced from PubChem (CID 68635702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).