2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide

C10H12ClNO2 — CID 141483840

IUPAC2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1ccc(O)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(12-10(14)6-11)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeySIJBXZSTZIYSLK-ZETCQYMHSA-N
MW213.66 g/mol
LogP1.81
Rot. Bonds3

About 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide

2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 141483840) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID141483840
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1ccc(O)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(12-10(14)6-11)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeySIJBXZSTZIYSLK-ZETCQYMHSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
CID 154856898
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide (CID 141483840) is 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide is C[C@H](NC(=O)CCl)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is SIJBXZSTZIYSLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(12-10(14)6-11)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide?
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 141483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).