N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide

C17H15ClF2N2O4 — CID 26657660

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-25-14-9-11(4-7-13(14)26-17(19)20)16(24)22-21-15(23)8-10-2-5-12(18)6-3-10/h2-7,9,17H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyVXWNVSKHIQOSRP-UHFFFAOYSA-N
MW384.77 g/mol
LogP2.95
Rot. Bonds6

About N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide (PubChem CID 26657660) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
PubChem CID26657660
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-25-14-9-11(4-7-13(14)26-17(19)20)16(24)22-21-15(23)8-10-2-5-12(18)6-3-10/h2-7,9,17H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyVXWNVSKHIQOSRP-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide (CID 26657660) is N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1OC(F)F.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The InChIKey is VXWNVSKHIQOSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-25-14-9-11(4-7-13(14)26-17(19)20)16(24)22-21-15(23)8-10-2-5-12(18)6-3-10/h2-7,9,17H,8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide has a molecular weight of 384.77 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide is sourced from PubChem (CID 26657660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).