2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide

C12H16ClNO3 — CID 118117352

IUPAC2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C[C@H](CO)NC(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO3/c1-17-11-4-2-9(3-5-11)6-10(8-15)14-12(16)7-13/h2-5,10,15H,6-8H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyHNZPWRMQSCEGCM-SNVBAGLBSA-N
MW257.72 g/mol
LogP0.95
Rot. Bonds6

About 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide

2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 118117352) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
PubChem CID118117352
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C[C@H](CO)NC(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO3/c1-17-11-4-2-9(3-5-11)6-10(8-15)14-12(16)7-13/h2-5,10,15H,6-8H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyHNZPWRMQSCEGCM-SNVBAGLBSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)butanoate
CID 167813974
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
3-(2-hydroxyethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350647
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
1-(6-chloro-3-pyridinyl)-3-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]urea
CID 135238768
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638711
(2S)-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]-2-[[(2S)-3-(4-methoxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methylbutanamide
CID 139990084
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446
(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
CID 154008770
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide (CID 118117352) is 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide is COc1ccc(C[C@H](CO)NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is HNZPWRMQSCEGCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-17-11-4-2-9(3-5-11)6-10(8-15)14-12(16)7-13/h2-5,10,15H,6-8H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 257.72 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 118117352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).