2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid

C18H14ClFN2O3 — CID 142151657

IUPAC2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cc(F)c(CC(=O)O)cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-9-17(11-4-2-3-5-14(11)21-9)18(25)22-15-8-13(20)10(6-12(15)19)7-16(23)24/h2-6,8,21H,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyGNUAMYZANXBVDZ-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.15
Rot. Bonds4

About 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid

2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 142151657) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid
PubChem CID142151657
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cc(F)c(CC(=O)O)cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-9-17(11-4-2-3-5-14(11)21-9)18(25)22-15-8-13(20)10(6-12(15)19)7-16(23)24/h2-6,8,21H,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyGNUAMYZANXBVDZ-UHFFFAOYSA-N
XLogP4.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid (CID 142151657) is 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid is Cc1[nH]c2ccccc2c1C(=O)Nc1cc(F)c(CC(=O)O)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GNUAMYZANXBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-9-17(11-4-2-3-5-14(11)21-9)18(25)22-15-8-13(20)10(6-12(15)19)7-16(23)24/h2-6,8,21H,7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid?
2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 360.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 142151657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).