N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide

C11H11Cl2NO3 — CID 173115549

IUPACN-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CC(Cc1ccc(Cl)c(Cl)c1)CN(O)C=O
InChIInChI=1S/C11H11Cl2NO3/c12-10-2-1-8(4-11(10)13)3-9(6-15)5-14(17)7-16/h1-2,4,6-7,9,17H,3,5H2
InChIKeyJOTDBCAMEPEDFC-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide

N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 173115549) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID173115549
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC NameN-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CC(Cc1ccc(Cl)c(Cl)c1)CN(O)C=O
InChIInChI=1S/C11H11Cl2NO3/c12-10-2-1-8(4-11(10)13)3-9(6-15)5-14(17)7-16/h1-2,4,6-7,9,17H,3,5H2
InChIKeyJOTDBCAMEPEDFC-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
CID 171093295
2-bromo-1-(3,4-dichlorophenyl)hexan-3-one
CID 62394460
3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxyamino]propanal
CID 175095485
sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 23688261
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
[1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
CID 15949469
N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10111888
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide (CID 173115549) is N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide is O=CC(Cc1ccc(Cl)c(Cl)c1)CN(O)C=O.
What is the InChIKey of N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is JOTDBCAMEPEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-10-2-1-8(4-11(10)13)3-9(6-15)5-14(17)7-16/h1-2,4,6-7,9,17H,3,5H2.
What are the key properties of N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide?
N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 276.12 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorophenyl)methyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 173115549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).