2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H16ClNO2 — CID 61044537

IUPAC2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-11(12-7-4-6-10-15(12)19)18(2)16(20)13-8-3-5-9-14(13)17/h3-11,19H,1-2H3
InChIKeyGPDBATKCMLEXPJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.88
Rot. Bonds3

About 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61044537) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61044537
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-11(12-7-4-6-10-15(12)19)18(2)16(20)13-8-3-5-9-14(13)17/h3-11,19H,1-2H3
InChIKeyGPDBATKCMLEXPJ-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61044537) is 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is GPDBATKCMLEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(12-7-4-6-10-15(12)19)18(2)16(20)13-8-3-5-9-14(13)17/h3-11,19H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61044537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).