N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide

C19H16BrN3O3 — CID 112809835

IUPACN-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H16BrN3O3/c20-17-11-10-16(26-17)19(25)21-12-18(24)23-15-9-5-4-8-14(15)22-13-6-2-1-3-7-13/h1-11,22H,12H2,(H,21,25)(H,23,24)
InChIKeyPOCLXXFMMUVOAS-UHFFFAOYSA-N
MW414.26 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 112809835) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID112809835
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC NameN-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H16BrN3O3/c20-17-11-10-16(26-17)19(25)21-12-18(24)23-15-9-5-4-8-14(15)22-13-6-2-1-3-7-13/h1-11,22H,12H2,(H,21,25)(H,23,24)
InChIKeyPOCLXXFMMUVOAS-UHFFFAOYSA-N
XLogP4.15
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 55708868
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962
N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 38583856
N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 55734307

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 112809835) is N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is POCLXXFMMUVOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c20-17-11-10-16(26-17)19(25)21-12-18(24)23-15-9-5-4-8-14(15)22-13-6-2-1-3-7-13/h1-11,22H,12H2,(H,21,25)(H,23,24).
What are the key properties of N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 112809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).