2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide

C24H22FNO3 — CID 96525444

IUPAC2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide
SMILESO=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H22FNO3/c25-20-12-10-17(11-13-20)14-18(16-27)15-26-24(29)22-9-5-4-8-21(22)23(28)19-6-2-1-3-7-19/h1-13,18,27H,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyPDXCPJTXFOSGQG-GOSISDBHSA-N
MW391.44 g/mol
LogP3.64
Rot. Bonds8

About 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide

2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide (PubChem CID 96525444) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide
PubChem CID96525444
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide
SMILESO=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H22FNO3/c25-20-12-10-17(11-13-20)14-18(16-27)15-26-24(29)22-9-5-4-8-21(22)23(28)19-6-2-1-3-7-19/h1-13,18,27H,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyPDXCPJTXFOSGQG-GOSISDBHSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 39976491
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide?
The IUPAC name of 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide (CID 96525444) is 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide is O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide?
The InChIKey is PDXCPJTXFOSGQG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22FNO3/c25-20-12-10-17(11-13-20)14-18(16-27)15-26-24(29)22-9-5-4-8-21(22)23(28)19-6-2-1-3-7-19/h1-13,18,27H,14-16H2,(H,26,29)/t18-/m1/s1.
What are the key properties of 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide?
2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide has a molecular weight of 391.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]benzamide is sourced from PubChem (CID 96525444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).