1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea

C16H19BrN2O2 — CID 55629678

IUPAC1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-11(9-15-7-4-8-21-15)18-16(20)19-12(2)13-5-3-6-14(17)10-13/h3-8,10-12H,9H2,1-2H3,(H2,18,19,20)
InChIKeyCMQCMEJEMFRXCF-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.03
Rot. Bonds5

About 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea

1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea (PubChem CID 55629678) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
PubChem CID55629678
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-11(9-15-7-4-8-21-15)18-16(20)19-12(2)13-5-3-6-14(17)10-13/h3-8,10-12H,9H2,1-2H3,(H2,18,19,20)
InChIKeyCMQCMEJEMFRXCF-UHFFFAOYSA-N
XLogP4.03
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 51939772
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
CID 51939771
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 52710574
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
CID 107025104
1-[1-(3-bromophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454370
N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
3-[1-(3-bromophenyl)ethylcarbamoylamino]propanoic acid
CID 54967412
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea (CID 55629678) is 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea is CC(Cc1ccco1)NC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea?
The InChIKey is CMQCMEJEMFRXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11(9-15-7-4-8-21-15)18-16(20)19-12(2)13-5-3-6-14(17)10-13/h3-8,10-12H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea?
1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea has a molecular weight of 351.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea is sourced from PubChem (CID 55629678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).