N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

C19H22ClNO3 — CID 46986143

IUPACN-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C19H22ClNO3/c1-14(13-22)11-21(12-15-5-3-2-4-6-15)19(24)10-16-7-8-18(23)17(20)9-16/h2-9,14,22-23H,10-13H2,1H3
InChIKeyHUDLMMVHNZHKPN-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.25
Rot. Bonds7

About N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 46986143) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID46986143
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C19H22ClNO3/c1-14(13-22)11-21(12-15-5-3-2-4-6-15)19(24)10-16-7-8-18(23)17(20)9-16/h2-9,14,22-23H,10-13H2,1H3
InChIKeyHUDLMMVHNZHKPN-UHFFFAOYSA-N
XLogP3.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
CID 46992721
2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
CID 47000419
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide
CID 50967433
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 46986143) is N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is CC(CO)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is HUDLMMVHNZHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-14(13-22)11-21(12-15-5-3-2-4-6-15)19(24)10-16-7-8-18(23)17(20)9-16/h2-9,14,22-23H,10-13H2,1H3.
What are the key properties of N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 347.84 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-4-hydroxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 46986143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).