2-chloro-N-(hydroxymethyl)-N-phenylacetamide

C9H10ClNO2 — CID 19762880

IUPAC2-chloro-N-(hydroxymethyl)-N-phenylacetamide
SMILESO=C(CCl)N(CO)c1ccccc1
InChIInChI=1S/C9H10ClNO2/c10-6-9(13)11(7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyUJKXDDCXPKVSJV-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-N-(hydroxymethyl)-N-phenylacetamide

2-chloro-N-(hydroxymethyl)-N-phenylacetamide (PubChem CID 19762880) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-(hydroxymethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(hydroxymethyl)-N-phenylacetamide
PubChem CID19762880
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-N-(hydroxymethyl)-N-phenylacetamide
SMILESO=C(CCl)N(CO)c1ccccc1
InChIInChI=1S/C9H10ClNO2/c10-6-9(13)11(7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyUJKXDDCXPKVSJV-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
hydroxymethyl(phenyl)carbamic acid
CID 69165687
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide
CID 103516222
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-bromo-N-(bromomethyl)-N-phenylacetamide
CID 67892280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(hydroxymethyl)-N-phenylacetamide?
The IUPAC name of 2-chloro-N-(hydroxymethyl)-N-phenylacetamide (CID 19762880) is 2-chloro-N-(hydroxymethyl)-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(hydroxymethyl)-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-(hydroxymethyl)-N-phenylacetamide is O=C(CCl)N(CO)c1ccccc1.
What is the InChIKey of 2-chloro-N-(hydroxymethyl)-N-phenylacetamide?
The InChIKey is UJKXDDCXPKVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-6-9(13)11(7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2.
What are the key properties of 2-chloro-N-(hydroxymethyl)-N-phenylacetamide?
2-chloro-N-(hydroxymethyl)-N-phenylacetamide has a molecular weight of 199.64 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(hydroxymethyl)-N-phenylacetamide is sourced from PubChem (CID 19762880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).