N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide

C15H13Cl2NO2 — CID 102367056

IUPACN-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)18-15(12-4-2-3-5-14(12)20)11-7-6-10(16)8-13(11)17/h2-8,15,20H,1H3,(H,18,19)
InChIKeyBQZPRSZUKNCPFK-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.92
Rot. Bonds3

About N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide

N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide (PubChem CID 102367056) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
PubChem CID102367056
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC NameN-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)18-15(12-4-2-3-5-14(12)20)11-7-6-10(16)8-13(11)17/h2-8,15,20H,1H3,(H,18,19)
InChIKeyBQZPRSZUKNCPFK-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
CID 53412405
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437
ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102495715
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]pentanamide
CID 7432415
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide (CID 102367056) is N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide is CC(=O)NC(c1ccccc1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide?
The InChIKey is BQZPRSZUKNCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(19)18-15(12-4-2-3-5-14(12)20)11-7-6-10(16)8-13(11)17/h2-8,15,20H,1H3,(H,18,19).
What are the key properties of N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide?
N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide has a molecular weight of 310.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 102367056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).