2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide

C19H16F2N2O4 — CID 69485337

IUPAC2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-10-14(9-17(22)25)15-8-12(24)4-7-16(15)23(10)18(26)11-2-5-13(6-3-11)27-19(20)21/h2-8,19,24H,9H2,1H3,(H2,22,25)
InChIKeyPKTBKMMCMWOCNU-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide

2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide (PubChem CID 69485337) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
PubChem CID69485337
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-10-14(9-17(22)25)15-8-12(24)4-7-16(15)23(10)18(26)11-2-5-13(6-3-11)27-19(20)21/h2-8,19,24H,9H2,1H3,(H2,22,25)
InChIKeyPKTBKMMCMWOCNU-UHFFFAOYSA-N
XLogP2.97
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 69485733
N-butan-2-yl-2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487943
2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488461
2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
N-butyl-2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485095
2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487727
2-[1-(2,6-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 71419570
N-butan-2-yl-2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-(2-hydroxyethyl)acetamide
CID 87893493
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide?
The IUPAC name of 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide (CID 69485337) is 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide is Cc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide?
The InChIKey is PKTBKMMCMWOCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-10-14(9-17(22)25)15-8-12(24)4-7-16(15)23(10)18(26)11-2-5-13(6-3-11)27-19(20)21/h2-8,19,24H,9H2,1H3,(H2,22,25).
What are the key properties of 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide?
2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide has a molecular weight of 374.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 69485337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).