5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide

C19H15BrClNO2 — CID 16651520

IUPAC5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Br)cc2)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15BrClNO2/c1-12-17(10-18(24-12)14-4-6-15(20)7-5-14)19(23)22-11-13-2-8-16(21)9-3-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyJYSUNGBRSVWSCZ-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.60
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide

5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide (PubChem CID 16651520) has the molecular formula C19H15BrClNO2 and a molecular weight of 404.69 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
PubChem CID16651520
Molecular FormulaC19H15BrClNO2
Molecular Weight404.69 g/mol
Exact Mass403.00
IUPAC Name5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Br)cc2)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15BrClNO2/c1-12-17(10-18(24-12)14-4-6-15(20)7-5-14)19(23)22-11-13-2-8-16(21)9-3-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyJYSUNGBRSVWSCZ-UHFFFAOYSA-N
XLogP5.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471
2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
CID 10204236
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide (CID 16651520) is 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Br)cc2)cc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide?
The InChIKey is JYSUNGBRSVWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2/c1-12-17(10-18(24-12)14-4-6-15(20)7-5-14)19(23)22-11-13-2-8-16(21)9-3-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide?
5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide has a molecular weight of 404.69 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 16651520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).