3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide

C10H9Cl3N2O — CID 46741785

IUPAC3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
SMILESO=C(NN=C(CCl)CCl)c1cccc(Cl)c1
InChIInChI=1S/C10H9Cl3N2O/c11-5-9(6-12)14-15-10(16)7-2-1-3-8(13)4-7/h1-4H,5-6H2,(H,15,16)
InChIKeyJNJOYKXYQZNTQD-UHFFFAOYSA-N
MW279.55 g/mol
LogP2.90
Rot. Bonds4

About 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide

3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide (PubChem CID 46741785) has the molecular formula C10H9Cl3N2O and a molecular weight of 279.55 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
PubChem CID46741785
Molecular FormulaC10H9Cl3N2O
Molecular Weight279.55 g/mol
Exact Mass277.98
IUPAC Name3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
SMILESO=C(NN=C(CCl)CCl)c1cccc(Cl)c1
InChIInChI=1S/C10H9Cl3N2O/c11-5-9(6-12)14-15-10(16)7-2-1-3-8(13)4-7/h1-4H,5-6H2,(H,15,16)
InChIKeyJNJOYKXYQZNTQD-UHFFFAOYSA-N
XLogP2.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 92859984
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide?
The IUPAC name of 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide (CID 46741785) is 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide.
What is the SMILES notation for 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide?
The canonical SMILES for 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide is O=C(NN=C(CCl)CCl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide?
The InChIKey is JNJOYKXYQZNTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O/c11-5-9(6-12)14-15-10(16)7-2-1-3-8(13)4-7/h1-4H,5-6H2,(H,15,16).
What are the key properties of 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide?
3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide has a molecular weight of 279.55 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide is sourced from PubChem (CID 46741785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).