(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide

C19H16ClFN2O3 — CID 69488919

IUPAC(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
SMILESCc1c([C@H](C)C(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN2O3/c1-9(18(22)25)17-10(2)23(16-6-4-12(24)8-13(16)17)19(26)11-3-5-14(20)15(21)7-11/h3-9,24H,1-2H3,(H2,22,25)/t9-/m0/s1
InChIKeyYTCADXGUBKHRLC-VIFPVBQESA-N
MW374.80 g/mol
LogP3.73
Rot. Bonds3

About (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide

(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide (PubChem CID 69488919) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
PubChem CID69488919
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
SMILESCc1c([C@H](C)C(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN2O3/c1-9(18(22)25)17-10(2)23(16-6-4-12(24)8-13(16)17)19(26)11-3-5-14(20)15(21)7-11/h3-9,24H,1-2H3,(H2,22,25)/t9-/m0/s1
InChIKeyYTCADXGUBKHRLC-VIFPVBQESA-N
XLogP3.73
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029128
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
CID 91536323
(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 69485526
(2R)-2-[1-(4-chloro-3-fluorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 69487975
3-[[(2S)-2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]propanoic acid
CID 69487453
2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide
CID 90943621
2-[[(2R)-2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]acetic acid
CID 69487709
2,3-bis[[(2S)-2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]-4-methylpentanedioic acid
CID 87892692
(2R)-2-[1-(4-chloro-3-fluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-(hydroxymethyl)propanamide
CID 69488633
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-(hydroxymethyl)propanamide
CID 69488635
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029121
propan-2-yl (2S)-2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide?
The IUPAC name of (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide (CID 69488919) is (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide?
The canonical SMILES for (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide is Cc1c([C@H](C)C(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide?
The InChIKey is YTCADXGUBKHRLC-VIFPVBQESA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-9(18(22)25)17-10(2)23(16-6-4-12(24)8-13(16)17)19(26)11-3-5-14(20)15(21)7-11/h3-9,24H,1-2H3,(H2,22,25)/t9-/m0/s1.
What are the key properties of (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide?
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide has a molecular weight of 374.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide is sourced from PubChem (CID 69488919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).