5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

C20H17BrN2O4 — CID 55771323

IUPAC5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C20H17BrN2O4/c1-2-26-16-9-4-3-8-15(16)23-19(24)13-6-5-7-14(12-13)22-20(25)17-10-11-18(21)27-17/h3-12H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyQQTLDXWPDGMUSE-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.95
Rot. Bonds6

About 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55771323) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55771323
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Name5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C20H17BrN2O4/c1-2-26-16-9-4-3-8-15(16)23-19(24)13-6-5-7-14(12-13)22-20(25)17-10-11-18(21)27-17/h3-12H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyQQTLDXWPDGMUSE-UHFFFAOYSA-N
XLogP4.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55776153
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
CID 26180023
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55771323) is 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QQTLDXWPDGMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-2-26-16-9-4-3-8-15(16)23-19(24)13-6-5-7-14(12-13)22-20(25)17-10-11-18(21)27-17/h3-12H,2H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55771323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).