5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide

C15H16BrNO2 — CID 1370910

IUPAC5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-15(2,3)17-14(18)13-9-8-12(19-13)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyARPCREHYUZELIB-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.24
Rot. Bonds2

About 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide

5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide (PubChem CID 1370910) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
PubChem CID1370910
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-15(2,3)17-14(18)13-9-8-12(19-13)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyARPCREHYUZELIB-UHFFFAOYSA-N
XLogP4.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
4-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid
CID 28669670
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126433393
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-(4-bromophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115593
5-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 1017506
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide (CID 1370910) is 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide is CC(C)(C)NC(=O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide?
The InChIKey is ARPCREHYUZELIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-15(2,3)17-14(18)13-9-8-12(19-13)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18).
What are the key properties of 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide?
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 1370910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).