N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

C17H14Cl2N4O5 — CID 18229739

IUPACN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O5/c18-11-3-6-14(19)13(9-11)17(26)22-21-15(24)7-8-20-16(25)10-1-4-12(5-2-10)23(27)28/h1-6,9H,7-8H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeySUEVZNCQPCUVFJ-UHFFFAOYSA-N
MW425.23 g/mol
LogP2.48
Rot. Bonds6

About N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide (PubChem CID 18229739) has the molecular formula C17H14Cl2N4O5 and a molecular weight of 425.23 g/mol. Its IUPAC name is N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
PubChem CID18229739
Molecular FormulaC17H14Cl2N4O5
Molecular Weight425.23 g/mol
Exact Mass424.03
IUPAC NameN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O5/c18-11-3-6-14(19)13(9-11)17(26)22-21-15(24)7-8-20-16(25)10-1-4-12(5-2-10)23(27)28/h1-6,9H,7-8H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeySUEVZNCQPCUVFJ-UHFFFAOYSA-N
XLogP2.48
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
N-[3-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 24641172
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
N-[3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 7977380
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2665844
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
N-[3-(2,5-difluoroanilino)-3-oxopropyl]-4-nitrobenzamide
CID 4794523
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
2-chloro-5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115577625
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
(5-chloro-2-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 8936956

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide (CID 18229739) is N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide is O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is SUEVZNCQPCUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O5/c18-11-3-6-14(19)13(9-11)17(26)22-21-15(24)7-8-20-16(25)10-1-4-12(5-2-10)23(27)28/h1-6,9H,7-8H2,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 425.23 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 18229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).