N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide

C19H22BrNO3 — CID 100635063

IUPACN-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](CO)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO3/c1-24-17-8-6-14(7-9-17)11-19(23)21-12-15(13-22)10-16-4-2-3-5-18(16)20/h2-9,15,22H,10-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyFKIDHBAYSSGRSG-OAHLLOKOSA-N
MW392.29 g/mol
LogP2.97
Rot. Bonds8

About N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide

N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 100635063) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
PubChem CID100635063
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC NameN-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](CO)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO3/c1-24-17-8-6-14(7-9-17)11-19(23)21-12-15(13-22)10-16-4-2-3-5-18(16)20/h2-9,15,22H,10-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyFKIDHBAYSSGRSG-OAHLLOKOSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
CID 66177096
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
N-[(2S)-2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropyl]butanamide
CID 126454756
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide (CID 100635063) is N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC[C@H](CO)Cc2ccccc2Br)cc1.
What is the InChIKey of N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FKIDHBAYSSGRSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-24-17-8-6-14(7-9-17)11-19(23)21-12-15(13-22)10-16-4-2-3-5-18(16)20/h2-9,15,22H,10-13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 392.29 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 100635063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).