N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide

C20H16BrFN2O3 — CID 4779798

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrFN2O3/c21-17-5-1-2-6-18(17)23-19(25)13-24(12-16-4-3-11-27-16)20(26)14-7-9-15(22)10-8-14/h1-11H,12-13H2,(H,23,25)
InChIKeyZCHCJBVWAHRCKC-UHFFFAOYSA-N
MW431.26 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide (PubChem CID 4779798) has the molecular formula C20H16BrFN2O3 and a molecular weight of 431.26 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
PubChem CID4779798
Molecular FormulaC20H16BrFN2O3
Molecular Weight431.26 g/mol
Exact Mass430.03
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrFN2O3/c21-17-5-1-2-6-18(17)23-19(25)13-24(12-16-4-3-11-27-16)20(26)14-7-9-15(22)10-8-14/h1-11H,12-13H2,(H,23,25)
InChIKeyZCHCJBVWAHRCKC-UHFFFAOYSA-N
XLogP4.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
CID 8620903
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
3-cyano-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 4820634
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365
2-[(2-bromophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3301442
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide (CID 4779798) is N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide is O=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZCHCJBVWAHRCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3/c21-17-5-1-2-6-18(17)23-19(25)13-24(12-16-4-3-11-27-16)20(26)14-7-9-15(22)10-8-14/h1-11H,12-13H2,(H,23,25).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 431.26 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4779798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).