N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide

C21H23ClN2O3 — CID 17195627

IUPACN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15(2)13-14-27-19-10-6-17(7-11-19)21(26)24-23-20(25)12-5-16-3-8-18(22)9-4-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+
InChIKeyVLWIUUDPYPZVHH-LFYBBSHMSA-N
MW386.88 g/mol
LogP4.24
Rot. Bonds7

About N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide

N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide (PubChem CID 17195627) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
PubChem CID17195627
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15(2)13-14-27-19-10-6-17(7-11-19)21(26)24-23-20(25)12-5-16-3-8-18(22)9-4-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+
InChIKeyVLWIUUDPYPZVHH-LFYBBSHMSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]prop-2-enamide
CID 17227698
4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4927927
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
(E)-3-(4-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17195925
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
2-(4-chlorophenyl)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]acetamide
CID 4928243
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17227294

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide (CID 17195627) is N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is VLWIUUDPYPZVHH-LFYBBSHMSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15(2)13-14-27-19-10-6-17(7-11-19)21(26)24-23-20(25)12-5-16-3-8-18(22)9-4-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+.
What are the key properties of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide?
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 386.88 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 17195627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).