N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide

C24H21FN2O2 — CID 163954256

IUPACN-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
SMILESCc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1F
InChIInChI=1S/C24H21FN2O2/c1-15-4-2-7-21(23(15)25)22(14-28)27-24(29)18-6-3-5-16(10-18)17-8-9-19-12-26-13-20(19)11-17/h2-11,13,22,28H,12,14H2,1H3,(H,27,29)
InChIKeyYJAJVIGHDALYBK-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.20
Rot. Bonds5

About N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide

N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide (PubChem CID 163954256) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
PubChem CID163954256
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
SMILESCc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1F
InChIInChI=1S/C24H21FN2O2/c1-15-4-2-7-21(23(15)25)22(14-28)27-24(29)18-6-3-5-16(10-18)17-8-9-19-12-26-13-20(19)11-17/h2-11,13,22,28H,12,14H2,1H3,(H,27,29)
InChIKeyYJAJVIGHDALYBK-UHFFFAOYSA-N
XLogP4.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 163678461
3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
CID 90092943
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530
3-(4-fluoro-3-methyl-5-propan-2-ylphenyl)benzoic acid
CID 142366462
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-fluoro-5-methyl-4-pyridinyl)benzamide
CID 68513544

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide?
The IUPAC name of N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide (CID 163954256) is N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide is Cc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4c(c3)C=NC4)c2)c1F.
What is the InChIKey of N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide?
The InChIKey is YJAJVIGHDALYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-15-4-2-7-21(23(15)25)22(14-28)27-24(29)18-6-3-5-16(10-18)17-8-9-19-12-26-13-20(19)11-17/h2-11,13,22,28H,12,14H2,1H3,(H,27,29).
What are the key properties of N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide?
N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide has a molecular weight of 388.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 163954256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).