3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

C17H13F3N4O3 — CID 29409986

IUPAC3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESN#Cc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)13-6-7-14(15(9-13)24(26)27)22-23-16(25)8-5-11-1-3-12(10-21)4-2-11/h1-4,6-7,9,22H,5,8H2,(H,23,25)
InChIKeyNUOVTYJKVBVBKK-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.56
Rot. Bonds6

About 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 29409986) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID29409986
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESN#Cc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)13-6-7-14(15(9-13)24(26)27)22-23-16(25)8-5-11-1-3-12(10-21)4-2-11/h1-4,6-7,9,22H,5,8H2,(H,23,25)
InChIKeyNUOVTYJKVBVBKK-UHFFFAOYSA-N
XLogP3.56
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
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

3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
N-[4-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 29409622
4-(2,5-dimethylthiophen-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-oxobutanehydrazide
CID 29409912
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409962
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
1-[(4-fluorophenyl)methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea
CID 24501812
2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409225
3-nitro-4-[[3-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 43025683
N-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 29409709
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (CID 29409986) is 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is N#Cc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is NUOVTYJKVBVBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)13-6-7-14(15(9-13)24(26)27)22-23-16(25)8-5-11-1-3-12(10-21)4-2-11/h1-4,6-7,9,22H,5,8H2,(H,23,25).
What are the key properties of 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 378.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 29409986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).