4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide

C18H16Cl2N2O2 — CID 175205773

IUPAC4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
SMILESC#CCN(Cc1ccc(C(=O)NO)cc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-2-10-22(12-15-16(19)4-3-5-17(15)20)11-13-6-8-14(9-7-13)18(23)21-24/h1,3-9,24H,10-12H2,(H,21,23)
InChIKeyCMPQPGQNGNRHKZ-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.75
Rot. Bonds6

About 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide

4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide (PubChem CID 175205773) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
PubChem CID175205773
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
SMILESC#CCN(Cc1ccc(C(=O)NO)cc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-2-10-22(12-15-16(19)4-3-5-17(15)20)11-13-6-8-14(9-7-13)18(23)21-24/h1,3-9,24H,10-12H2,(H,21,23)
InChIKeyCMPQPGQNGNRHKZ-UHFFFAOYSA-N
XLogP3.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2-chlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
CID 175191139
4-[[(3,4-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
CID 175205660
4-[[2-carboxyethyl(prop-2-ynyl)amino]methyl]benzoic acid
CID 82330697
N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide
CID 175193741
2-[(2-chloro-6-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 104819003
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
4-chloro-N-hydroxybenzamide
CID 587178
2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381421
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide (CID 175205773) is 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide is C#CCN(Cc1ccc(C(=O)NO)cc1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide?
The InChIKey is CMPQPGQNGNRHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-10-22(12-15-16(19)4-3-5-17(15)20)11-13-6-8-14(9-7-13)18(23)21-24/h1,3-9,24H,10-12H2,(H,21,23).
What are the key properties of 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide?
4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide has a molecular weight of 363.24 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 175205773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).