N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide

C14H13F2N3O — CID 63791568

IUPACN-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2N3O/c15-11-3-6-13(16)10(7-11)8-18-14(20)9-1-4-12(19-17)5-2-9/h1-7,19H,8,17H2,(H,18,20)
InChIKeyRMVORJSBZZIOLH-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.18
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide

N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide (PubChem CID 63791568) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
PubChem CID63791568
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2N3O/c15-11-3-6-13(16)10(7-11)8-18-14(20)9-1-4-12(19-17)5-2-9/h1-7,19H,8,17H2,(H,18,20)
InChIKeyRMVORJSBZZIOLH-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
CID 103222099
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide (CID 63791568) is N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide is NNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide?
The InChIKey is RMVORJSBZZIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-3-6-13(16)10(7-11)8-18-14(20)9-1-4-12(19-17)5-2-9/h1-7,19H,8,17H2,(H,18,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide?
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide is sourced from PubChem (CID 63791568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).