N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide

C19H20ClN3O2 — CID 35709086

IUPACN'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClN3O2/c1-23(2)16-8-3-5-13(11-16)17(24)21-22-18(25)19(9-10-19)14-6-4-7-15(20)12-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBCKNFVQNRGKLJF-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.90
Rot. Bonds4

About N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide

N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide (PubChem CID 35709086) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
PubChem CID35709086
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClN3O2/c1-23(2)16-8-3-5-13(11-16)17(24)21-22-18(25)19(9-10-19)14-6-4-7-15(20)12-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBCKNFVQNRGKLJF-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide
CID 56799159
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
CID 78872634
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide (CID 35709086) is N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide?
The InChIKey is BCKNFVQNRGKLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-23(2)16-8-3-5-13(11-16)17(24)21-22-18(25)19(9-10-19)14-6-4-7-15(20)12-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide?
N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide has a molecular weight of 357.84 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide is sourced from PubChem (CID 35709086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).