N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

C19H22Cl2N2O3 — CID 4728585

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C2(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)CCC(C2)C1(C)C
InChIInChI=1S/C19H22Cl2N2O3/c1-11-18(2,3)12-6-7-19(11,9-12)17(25)23-22-16(24)10-26-15-5-4-13(20)8-14(15)21/h4-5,8,12H,1,6-7,9-10H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyRWDQSHOWGQWQBS-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.90
Rot. Bonds4

About N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 4728585) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID4728585
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C2(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)CCC(C2)C1(C)C
InChIInChI=1S/C19H22Cl2N2O3/c1-11-18(2,3)12-6-7-19(11,9-12)17(25)23-22-16(24)10-26-15-5-4-13(20)8-14(15)21/h4-5,8,12H,1,6-7,9-10H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyRWDQSHOWGQWQBS-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728572
(1R,4S)-N-(2,4-dichlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138048
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
CID 1378778
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
4,5-dicyano-N'-[2-(2,4-dichlorophenoxy)acetyl]-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carbohydrazide
CID 18834932
N'-[2-(2,4-dichlorophenoxy)acetyl]-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 3268281
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N'-[2-(2,4-dichlorophenoxy)acetyl]-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261645
methyl 2-[[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50903596
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
cis-(1R,2S)-2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 40546144

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (CID 4728585) is N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is C=C1C2(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)CCC(C2)C1(C)C.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is RWDQSHOWGQWQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-11-18(2,3)12-6-7-19(11,9-12)17(25)23-22-16(24)10-26-15-5-4-13(20)8-14(15)21/h4-5,8,12H,1,6-7,9-10H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 397.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 4728585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).