3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide

C16H16ClN3O4 — CID 91686949

IUPAC3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide
SMILESNNC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O4/c17-14-9-11(4-8-16(21)19-18)3-7-15(14)24-10-12-1-5-13(6-2-12)20(22)23/h1-3,5-7,9H,4,8,10,18H2,(H,19,21)
InChIKeyVEFBIZVHKGTVKK-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.75
Rot. Bonds7

About 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide

3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide (PubChem CID 91686949) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide.

Molecular Properties

Compound Name3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide
PubChem CID91686949
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide
SMILESNNC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O4/c17-14-9-11(4-8-16(21)19-18)3-7-15(14)24-10-12-1-5-13(6-2-12)20(22)23/h1-3,5-7,9H,4,8,10,18H2,(H,19,21)
InChIKeyVEFBIZVHKGTVKK-UHFFFAOYSA-N
XLogP2.75
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
2-[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
N-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125583
prop-2-enyl (E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoate
CID 91684908
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 19297987
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
4-chloro-2-[(4-nitrophenyl)methoxy]benzoic acid
CID 45418753

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide?
The IUPAC name of 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide (CID 91686949) is 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide.
What is the SMILES notation for 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide?
The canonical SMILES for 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide is NNC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide?
The InChIKey is VEFBIZVHKGTVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-14-9-11(4-8-16(21)19-18)3-7-15(14)24-10-12-1-5-13(6-2-12)20(22)23/h1-3,5-7,9H,4,8,10,18H2,(H,19,21).
What are the key properties of 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide?
3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide has a molecular weight of 349.77 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide is sourced from PubChem (CID 91686949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).