2-(2-bromo-6-chloroanilino)-2-phenylacetic acid

C14H11BrClNO2 — CID 174994718

IUPAC2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1c(Cl)cccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrClNO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19)
InChIKeyIMFPNFHHZAREIO-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.34
Rot. Bonds4

About 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid

2-(2-bromo-6-chloroanilino)-2-phenylacetic acid (PubChem CID 174994718) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
PubChem CID174994718
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1c(Cl)cccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrClNO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19)
InChIKeyIMFPNFHHZAREIO-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
CID 18546331
2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
CID 103236812
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-bromo-6-chloro-N-phenylaniline
CID 14369715
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 43089617
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid (CID 174994718) is 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid is O=C(O)C(Nc1c(Cl)cccc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid?
The InChIKey is IMFPNFHHZAREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19).
What are the key properties of 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid?
2-(2-bromo-6-chloroanilino)-2-phenylacetic acid has a molecular weight of 340.60 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloroanilino)-2-phenylacetic acid is sourced from PubChem (CID 174994718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).