2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide

C14H14BrN3O3 — CID 106852997

IUPAC2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3/c1-8(17-13(19)11-6-7-21-12(11)15)9-2-4-10(5-3-9)18-14(16)20/h2-8H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyIBRBNPIAWXARNQ-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.02
Rot. Bonds4

About 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide

2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide (PubChem CID 106852997) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
PubChem CID106852997
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3/c1-8(17-13(19)11-6-7-21-12(11)15)9-2-4-10(5-3-9)18-14(16)20/h2-8H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyIBRBNPIAWXARNQ-UHFFFAOYSA-N
XLogP3.02
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
4-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 87011236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide (CID 106852997) is 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1Br)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is IBRBNPIAWXARNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-8(17-13(19)11-6-7-21-12(11)15)9-2-4-10(5-3-9)18-14(16)20/h2-8H,1H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide?
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 106852997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).