2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

C10H12ClNO2 — CID 60809822

IUPAC2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CCl
InChIInChI=1S/C10H12ClNO2/c1-12(10(14)6-11)7-8-4-2-3-5-9(8)13/h2-5,13H,6-7H2,1H3
InChIKeyBWWKWGMENRWNAP-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.59
Rot. Bonds3

About 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 60809822) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID60809822
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CCl
InChIInChI=1S/C10H12ClNO2/c1-12(10(14)6-11)7-8-4-2-3-5-9(8)13/h2-5,13H,6-7H2,1H3
InChIKeyBWWKWGMENRWNAP-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 86861731
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
CID 86145134
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
CID 103633623
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (CID 60809822) is 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1O)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is BWWKWGMENRWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12(10(14)6-11)7-8-4-2-3-5-9(8)13/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 213.66 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60809822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).