3-methyl-4-nitro-N-phenylbenzohydrazide

C14H13N3O3 — CID 54532028

IUPAC3-methyl-4-nitro-N-phenylbenzohydrazide
SMILESCc1cc(C(=O)N(N)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-9-11(7-8-13(10)17(19)20)14(18)16(15)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyYXFCMOGHVGZFBY-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-4-nitro-N-phenylbenzohydrazide

3-methyl-4-nitro-N-phenylbenzohydrazide (PubChem CID 54532028) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-phenylbenzohydrazide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-phenylbenzohydrazide
PubChem CID54532028
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-methyl-4-nitro-N-phenylbenzohydrazide
SMILESCc1cc(C(=O)N(N)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-9-11(7-8-13(10)17(19)20)14(18)16(15)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyYXFCMOGHVGZFBY-UHFFFAOYSA-N
XLogP2.42
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
CID 51188121
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
CID 60560008
2-[butan-2-yl-(3-methyl-4-nitrobenzoyl)amino]acetic acid
CID 60829723
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
methanesulfonic acid;3-methyl-4-nitrobenzoic acid
CID 159529273
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8628170
(2-benzamido-2-oxoethyl) 3-methyl-4-nitrobenzoate
CID 8629913
4-acetamido-3-nitro-N,N-diphenylbenzamide
CID 596922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-phenylbenzohydrazide?
The IUPAC name of 3-methyl-4-nitro-N-phenylbenzohydrazide (CID 54532028) is 3-methyl-4-nitro-N-phenylbenzohydrazide.
What is the SMILES notation for 3-methyl-4-nitro-N-phenylbenzohydrazide?
The canonical SMILES for 3-methyl-4-nitro-N-phenylbenzohydrazide is Cc1cc(C(=O)N(N)c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-phenylbenzohydrazide?
The InChIKey is YXFCMOGHVGZFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-9-11(7-8-13(10)17(19)20)14(18)16(15)12-5-3-2-4-6-12/h2-9H,15H2,1H3.
What are the key properties of 3-methyl-4-nitro-N-phenylbenzohydrazide?
3-methyl-4-nitro-N-phenylbenzohydrazide has a molecular weight of 271.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-phenylbenzohydrazide is sourced from PubChem (CID 54532028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).