2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide

C16H14F2N4O2 — CID 167761468

IUPAC2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide
SMILESNC(Cc1[nH]nc2ccccc12)C(=O)Nc1ccc(F)c(O)c1F
InChIInChI=1S/C16H14F2N4O2/c17-9-5-6-12(14(18)15(9)23)20-16(24)10(19)7-13-8-3-1-2-4-11(8)21-22-13/h1-6,10,23H,7,19H2,(H,20,24)(H,21,22)
InChIKeyVHHLPJFUNWCWER-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide

2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide (PubChem CID 167761468) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide
PubChem CID167761468
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide
SMILESNC(Cc1[nH]nc2ccccc12)C(=O)Nc1ccc(F)c(O)c1F
InChIInChI=1S/C16H14F2N4O2/c17-9-5-6-12(14(18)15(9)23)20-16(24)10(19)7-13-8-3-1-2-4-11(8)21-22-13/h1-6,10,23H,7,19H2,(H,20,24)(H,21,22)
InChIKeyVHHLPJFUNWCWER-UHFFFAOYSA-N
XLogP2.06
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide
CID 155965724
4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
CID 75497770
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate
CID 54435281
(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
CID 110483797
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide (CID 167761468) is 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide is NC(Cc1[nH]nc2ccccc12)C(=O)Nc1ccc(F)c(O)c1F.
What is the InChIKey of 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide?
The InChIKey is VHHLPJFUNWCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c17-9-5-6-12(14(18)15(9)23)20-16(24)10(19)7-13-8-3-1-2-4-11(8)21-22-13/h1-6,10,23H,7,19H2,(H,20,24)(H,21,22).
What are the key properties of 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide?
2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide has a molecular weight of 332.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-difluoro-3-hydroxyphenyl)-3-(2H-indazol-3-yl)propanamide is sourced from PubChem (CID 167761468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).