N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide

C15H13ClN4O4 — CID 9431711

IUPACN'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O4/c1-17-12-7-4-10(8-13(12)20(23)24)15(22)19-18-14(21)9-2-5-11(16)6-3-9/h2-8,17H,1H3,(H,18,21)(H,19,22)
InChIKeySBIGRZGMIPGGOC-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.36
Rot. Bonds4

About N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide

N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide (PubChem CID 9431711) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
PubChem CID9431711
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC NameN'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O4/c1-17-12-7-4-10(8-13(12)20(23)24)15(22)19-18-14(21)9-2-5-11(16)6-3-9/h2-8,17H,1H3,(H,18,21)(H,19,22)
InChIKeySBIGRZGMIPGGOC-UHFFFAOYSA-N
XLogP2.36
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.36
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

4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
CID 9150351
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552
4-(methylamino)-3-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 46652855
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate
CID 7262253
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
N-[(3-chlorophenyl)methyl]-4-(methylamino)-3-nitrobenzamide
CID 9082110
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
4-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 3555282
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
4-(methylamino)-N-(2-methylpentan-2-yl)-3-nitrobenzamide
CID 49416436
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide (CID 9431711) is N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide is CNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide?
The InChIKey is SBIGRZGMIPGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c1-17-12-7-4-10(8-13(12)20(23)24)15(22)19-18-14(21)9-2-5-11(16)6-3-9/h2-8,17H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide?
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide has a molecular weight of 348.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide is sourced from PubChem (CID 9431711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).