5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide

C20H15BrClN3O4 — CID 55786816

IUPAC5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H15BrClN3O4/c21-17-10-9-16(29-17)20(28)23-13-7-5-12(6-8-13)11-18(26)24-25-19(27)14-3-1-2-4-15(14)22/h1-10H,11H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKLECXARTUGBJCD-UHFFFAOYSA-N
MW476.71 g/mol
LogP3.95
Rot. Bonds5

About 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55786816) has the molecular formula C20H15BrClN3O4 and a molecular weight of 476.71 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55786816
Molecular FormulaC20H15BrClN3O4
Molecular Weight476.71 g/mol
Exact Mass474.99
IUPAC Name5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H15BrClN3O4/c21-17-10-9-16(29-17)20(28)23-13-7-5-12(6-8-13)11-18(26)24-25-19(27)14-3-1-2-4-15(14)22/h1-10H,11H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKLECXARTUGBJCD-UHFFFAOYSA-N
XLogP3.95
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide
CID 55945410
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488649
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55786816) is 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is KLECXARTUGBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3O4/c21-17-10-9-16(29-17)20(28)23-13-7-5-12(6-8-13)11-18(26)24-25-19(27)14-3-1-2-4-15(14)22/h1-10H,11H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 476.71 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55786816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).