N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide

C20H16BrFN2O3 — CID 27162055

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H16BrFN2O3/c1-12-10-14(21)4-7-16(12)24-19(25)11-23-20(26)18-9-8-17(27-18)13-2-5-15(22)6-3-13/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIRYGEDNPSGHGN-UHFFFAOYSA-N
MW431.26 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 27162055) has the molecular formula C20H16BrFN2O3 and a molecular weight of 431.26 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID27162055
Molecular FormulaC20H16BrFN2O3
Molecular Weight431.26 g/mol
Exact Mass430.03
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H16BrFN2O3/c1-12-10-14(21)4-7-16(12)24-19(25)11-23-20(26)18-9-8-17(27-18)13-2-5-15(22)6-3-13/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIRYGEDNPSGHGN-UHFFFAOYSA-N
XLogP4.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78867316
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
4-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid
CID 28669670
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573753
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838821
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 55708868
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 30969347
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 27162055) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is UIRYGEDNPSGHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3/c1-12-10-14(21)4-7-16(12)24-19(25)11-23-20(26)18-9-8-17(27-18)13-2-5-15(22)6-3-13/h2-10H,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 431.26 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 27162055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).