2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid

C22H17ClFNO4 — CID 24957188

IUPAC2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)cc1
InChIInChI=1S/C22H17ClFNO4/c23-17-10-11-18(29-13-15-4-2-1-3-5-15)21(24)20(17)22(28)25-16-8-6-14(7-9-16)12-19(26)27/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyUTPIZUQYLRVZPR-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.94
Rot. Bonds7

About 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid

2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid (PubChem CID 24957188) has the molecular formula C22H17ClFNO4 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
PubChem CID24957188
Molecular FormulaC22H17ClFNO4
Molecular Weight413.83 g/mol
Exact Mass413.08
IUPAC Name2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)cc1
InChIInChI=1S/C22H17ClFNO4/c23-17-10-11-18(29-13-15-4-2-1-3-5-15)21(24)20(17)22(28)25-16-8-6-14(7-9-16)12-19(26)27/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyUTPIZUQYLRVZPR-UHFFFAOYSA-N
XLogP4.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957191
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938
6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-phenylmethoxybenzamide
CID 51002333
6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
CID 51002335
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
6-chloro-2-fluoro-3-[(3-fluorophenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51002454

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid (CID 24957188) is 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)cc1.
What is the InChIKey of 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is UTPIZUQYLRVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO4/c23-17-10-11-18(29-13-15-4-2-1-3-5-15)21(24)20(17)22(28)25-16-8-6-14(7-9-16)12-19(26)27/h1-11H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid has a molecular weight of 413.83 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 24957188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).