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

C22H20BrN3O5 — CID 46489816

IUPAC5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C22H20BrN3O5/c1-2-30-17-9-5-15(6-10-17)21(28)26-25-20(27)13-14-3-7-16(8-4-14)24-22(29)18-11-12-19(23)31-18/h3-12H,2,13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyUSJUHNJVVNSTMT-UHFFFAOYSA-N
MW486.32 g/mol
LogP3.70
Rot. Bonds7

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

5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 46489816) has the molecular formula C22H20BrN3O5 and a molecular weight of 486.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID46489816
Molecular FormulaC22H20BrN3O5
Molecular Weight486.32 g/mol
Exact Mass485.06
IUPAC Name5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C22H20BrN3O5/c1-2-30-17-9-5-15(6-10-17)21(28)26-25-20(27)13-14-3-7-16(8-4-14)24-22(29)18-11-12-19(23)31-18/h3-12H,2,13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyUSJUHNJVVNSTMT-UHFFFAOYSA-N
XLogP3.70
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.32
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4932656
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
propyl 4-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]benzoate
CID 55789898
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786816
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 3379575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 46489816) is 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide is CCOc1ccc(C(=O)NNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is USJUHNJVVNSTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O5/c1-2-30-17-9-5-15(6-10-17)21(28)26-25-20(27)13-14-3-7-16(8-4-14)24-22(29)18-11-12-19(23)31-18/h3-12H,2,13H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 486.32 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46489816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).