N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide

C14H14BrN3O3 — CID 106999674

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrN3O3/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20)
InChIKeyVYGGJQWZFKJLSZ-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide (PubChem CID 106999674) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
PubChem CID106999674
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrN3O3/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20)
InChIKeyVYGGJQWZFKJLSZ-UHFFFAOYSA-N
XLogP1.98
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 56784276
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 120603626
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide (CID 106999674) is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is VYGGJQWZFKJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 106999674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).