N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide

C20H20ClNO3 — CID 99999850

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
SMILESC[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H20ClNO3/c1-20(24,18-12-15-6-2-3-8-17(15)25-18)13-22-19(23)10-9-14-5-4-7-16(21)11-14/h2-8,11-12,24H,9-10,13H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyZHJHXSVKZPPHHE-FQEVSTJZSA-N
MW357.84 g/mol
LogP4.04
Rot. Bonds6

About N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide (PubChem CID 99999850) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
PubChem CID99999850
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
SMILESC[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H20ClNO3/c1-20(24,18-12-15-6-2-3-8-17(15)25-18)13-22-19(23)10-9-14-5-4-7-16(21)11-14/h2-8,11-12,24H,9-10,13H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyZHJHXSVKZPPHHE-FQEVSTJZSA-N
XLogP4.04
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide (CID 99999850) is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide is C[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide?
The InChIKey is ZHJHXSVKZPPHHE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-20(24,18-12-15-6-2-3-8-17(15)25-18)13-22-19(23)10-9-14-5-4-7-16(21)11-14/h2-8,11-12,24H,9-10,13H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide has a molecular weight of 357.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 99999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).