3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide

C23H24BrN3O3 — CID 42699907

IUPAC3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccco1)C(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C23H24BrN3O3/c1-17(18-8-3-2-4-9-18)25-22(28)13-14-27(16-19-10-7-15-30-19)23(29)26-21-12-6-5-11-20(21)24/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyDZFZFXBHTLBPHH-UHFFFAOYSA-N
MW470.37 g/mol
LogP5.34
Rot. Bonds8

About 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide

3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide (PubChem CID 42699907) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
PubChem CID42699907
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC Name3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccco1)C(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C23H24BrN3O3/c1-17(18-8-3-2-4-9-18)25-22(28)13-14-27(16-19-10-7-15-30-19)23(29)26-21-12-6-5-11-20(21)24/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyDZFZFXBHTLBPHH-UHFFFAOYSA-N
XLogP5.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.37
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(1-phenylethyl)propanamide
CID 42699218
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42657152
2-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3624786
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
2-[(2-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5038779
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821
3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42699861
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide (CID 42699907) is 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN(Cc1ccco1)C(=O)Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The InChIKey is DZFZFXBHTLBPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-17(18-8-3-2-4-9-18)25-22(28)13-14-27(16-19-10-7-15-30-19)23(29)26-21-12-6-5-11-20(21)24/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide has a molecular weight of 470.37 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42699907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).