2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid

C14H11ClFNO2 — CID 95483501

IUPAC2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c15-10-2-1-3-11(8-10)17-13-5-4-9(6-12(13)16)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKeyGKSYDGWBJHJWCU-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid

2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid (PubChem CID 95483501) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
PubChem CID95483501
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c15-10-2-1-3-11(8-10)17-13-5-4-9(6-12(13)16)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKeyGKSYDGWBJHJWCU-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromo-3-methylanilino)-3-fluorophenyl]acetic acid
CID 84611405
2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
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2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
2-[4-(4-bromo-2-methylanilino)-3-fluorophenyl]acetic acid
CID 84611404
N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
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4-(2-aminoethyl)-2-fluoro-N-phenylaniline
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3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
4-(3-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
CID 82303958
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]acetic acid
CID 103248717
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid (CID 95483501) is 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid is O=C(O)Cc1ccc(Nc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid?
The InChIKey is GKSYDGWBJHJWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-10-2-1-3-11(8-10)17-13-5-4-9(6-12(13)16)7-14(18)19/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid?
2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid has a molecular weight of 279.70 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid is sourced from PubChem (CID 95483501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).