N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide

C14H10BrClN2O2S — CID 9475553

IUPACN'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
SMILESO=C(/C=C/c1ccc(Br)s1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClN2O2S/c15-12-6-4-11(21-12)5-7-13(19)17-18-14(20)9-2-1-3-10(16)8-9/h1-8H,(H,17,19)(H,18,20)/b7-5+
InChIKeyQAKPYZQFRUDKSS-FNORWQNLSA-N
MW385.67 g/mol
LogP3.64
Rot. Bonds3

About N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide

N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide (PubChem CID 9475553) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
PubChem CID9475553
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
SMILESO=C(/C=C/c1ccc(Br)s1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClN2O2S/c15-12-6-4-11(21-12)5-7-13(19)17-18-14(20)9-2-1-3-10(16)8-9/h1-8H,(H,17,19)(H,18,20)/b7-5+
InChIKeyQAKPYZQFRUDKSS-FNORWQNLSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.64
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

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208020
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480421
3-chloro-N'-[(E)-3-phenylsulfanylprop-2-enoyl]benzohydrazide
CID 9086685
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
N-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-5-chlorophenyl]furan-2-carboxamide
CID 55645244
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
(E)-1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 8858055
N,N-dimethyl-3-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 9427950

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide (CID 9475553) is N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide is O=C(/C=C/c1ccc(Br)s1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide?
The InChIKey is QAKPYZQFRUDKSS-FNORWQNLSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c15-12-6-4-11(21-12)5-7-13(19)17-18-14(20)9-2-1-3-10(16)8-9/h1-8H,(H,17,19)(H,18,20)/b7-5+.
What are the key properties of N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide?
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide has a molecular weight of 385.67 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 9475553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).