5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide

C20H16BrClN2O4 — CID 55945410

IUPAC5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H16BrClN2O4/c21-18-10-9-17(28-18)20(26)23-11-19(25)24-14-5-7-15(8-6-14)27-12-13-3-1-2-4-16(13)22/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyHNRQIVRCDWCTOB-UHFFFAOYSA-N
MW463.72 g/mol
LogP4.64
Rot. Bonds7

About 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55945410) has the molecular formula C20H16BrClN2O4 and a molecular weight of 463.72 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide
PubChem CID55945410
Molecular FormulaC20H16BrClN2O4
Molecular Weight463.72 g/mol
Exact Mass462.00
IUPAC Name5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H16BrClN2O4/c21-18-10-9-17(28-18)20(26)23-11-19(25)24-14-5-7-15(8-6-14)27-12-13-3-1-2-4-16(13)22/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyHNRQIVRCDWCTOB-UHFFFAOYSA-N
XLogP4.64
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.72
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786816
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 2991250
5-bromo-N-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538963
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
5-bromo-N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 55866728
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide (CID 55945410) is 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HNRQIVRCDWCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4/c21-18-10-9-17(28-18)20(26)23-11-19(25)24-14-5-7-15(8-6-14)27-12-13-3-1-2-4-16(13)22/h1-10H,11-12H2,(H,23,26)(H,24,25).
What are the key properties of 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 463.72 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-[(2-chlorophenyl)methoxy]anilino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55945410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).