N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide

C10H10Cl2N2O2 — CID 46741789

IUPACN-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=C(CCl)CCl)c1ccc(O)cc1
InChIInChI=1S/C10H10Cl2N2O2/c11-5-8(6-12)13-14-10(16)7-1-3-9(15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChIKeyNZUCARXNUNVPMU-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.96
Rot. Bonds4

About N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide

N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide (PubChem CID 46741789) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide
PubChem CID46741789
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC NameN-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=C(CCl)CCl)c1ccc(O)cc1
InChIInChI=1S/C10H10Cl2N2O2/c11-5-8(6-12)13-14-10(16)7-1-3-9(15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChIKeyNZUCARXNUNVPMU-UHFFFAOYSA-N
XLogP1.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
CID 46741785
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide?
The IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide (CID 46741789) is N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide.
What is the SMILES notation for N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide?
The canonical SMILES for N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide is O=C(NN=C(CCl)CCl)c1ccc(O)cc1.
What is the InChIKey of N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide?
The InChIKey is NZUCARXNUNVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-5-8(6-12)13-14-10(16)7-1-3-9(15)4-2-7/h1-4,15H,5-6H2,(H,14,16).
What are the key properties of N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide?
N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide has a molecular weight of 261.11 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide is sourced from PubChem (CID 46741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).