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

C18H18ClN3O2 — CID 26184751

IUPACN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClN3O2/c1-22(2)16-5-3-4-14(12-16)18(24)21-20-17(23)11-8-13-6-9-15(19)10-7-13/h3-12H,1-2H3,(H,20,23)(H,21,24)/b11-8+
InChIKeyQSRDVRBXVXHCQY-DHZHZOJOSA-N
MW343.81 g/mol
LogP2.88
Rot. Bonds4

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

N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide (PubChem CID 26184751) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
PubChem CID26184751
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClN3O2/c1-22(2)16-5-3-4-14(12-16)18(24)21-20-17(23)11-8-13-6-9-15(19)10-7-13/h3-12H,1-2H3,(H,20,23)(H,21,24)/b11-8+
InChIKeyQSRDVRBXVXHCQY-DHZHZOJOSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.88
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

3-(dimethylamino)-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 30485890
N'-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 35824588
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
CID 26262587
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
3-(4-chlorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 68745012
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
3-(dimethylamino)-N'-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]benzohydrazide
CID 30486986
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide?
The IUPAC name of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide (CID 26184751) is N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide?
The InChIKey is QSRDVRBXVXHCQY-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22(2)16-5-3-4-14(12-16)18(24)21-20-17(23)11-8-13-6-9-15(19)10-7-13/h3-12H,1-2H3,(H,20,23)(H,21,24)/b11-8+.
What are the key properties of N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide?
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide has a molecular weight of 343.81 g/mol, XLogP of 2.88, 4 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]-3-(dimethylamino)benzohydrazide is sourced from PubChem (CID 26184751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).