3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

C17H15Cl2N3O3 — CID 135716445

IUPAC3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C17H15Cl2N3O3/c18-13-6-5-11(9-14(13)19)17(25)20-8-7-16(24)22-21-10-12-3-1-2-4-15(12)23/h1-6,9-10,23H,7-8H2,(H,20,25)(H,22,24)/b21-10+
InChIKeyXYGAJWONGJAOFM-UFFVCSGVSA-N
MW380.23 g/mol
LogP2.97
Rot. Bonds6

About 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 135716445) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID135716445
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C17H15Cl2N3O3/c18-13-6-5-11(9-14(13)19)17(25)20-8-7-16(24)22-21-10-12-3-1-2-4-15(12)23/h1-6,9-10,23H,7-8H2,(H,20,25)(H,22,24)/b21-10+
InChIKeyXYGAJWONGJAOFM-UFFVCSGVSA-N
XLogP2.97
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 135715603
N-[3-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-3,4-dichlorobenzamide
CID 135613435
3,4-dichloro-N-[3-[2-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4003646
N-[3-[2-[(5-bromo-2-butoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-3,4-dichlorobenzamide
CID 3887697
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3468742
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3271904
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 4285725
[3-benzoyloxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3864023
3,4-dichloro-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4537257

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 135716445) is 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O.
What is the InChIKey of 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is XYGAJWONGJAOFM-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-13-6-5-11(9-14(13)19)17(25)20-8-7-16(24)22-21-10-12-3-1-2-4-15(12)23/h1-6,9-10,23H,7-8H2,(H,20,25)(H,22,24)/b21-10+.
What are the key properties of 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 380.23 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 135716445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).