2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C12H16ClNO3 — CID 66168619

IUPAC2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-12(17,8-15)7-14-11(16)6-9-2-4-10(13)5-3-9/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyWISLFAGSSXRRRR-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66168619) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66168619
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-12(17,8-15)7-14-11(16)6-9-2-4-10(13)5-3-9/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyWISLFAGSSXRRRR-UHFFFAOYSA-N
XLogP0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
4-[[2-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66168619) is 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(O)(CO)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is WISLFAGSSXRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-12(17,8-15)7-14-11(16)6-9-2-4-10(13)5-3-9/h2-5,15,17H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66168619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).