2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide

C15H16BrN3O3 — CID 60601838

IUPAC2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NCc1cccc(Br)c1)NCc1ccco1
InChIInChI=1S/C15H16BrN3O3/c16-12-4-1-3-11(7-12)8-18-15(21)19-10-14(20)17-9-13-5-2-6-22-13/h1-7H,8-10H2,(H,17,20)(H2,18,19,21)
InChIKeyURHRPKWIPGOQRI-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.16
Rot. Bonds6

About 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide

2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 60601838) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID60601838
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NCc1cccc(Br)c1)NCc1ccco1
InChIInChI=1S/C15H16BrN3O3/c16-12-4-1-3-11(7-12)8-18-15(21)19-10-14(20)17-9-13-5-2-6-22-13/h1-7H,8-10H2,(H,17,20)(H2,18,19,21)
InChIKeyURHRPKWIPGOQRI-UHFFFAOYSA-N
XLogP2.16
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 52710574
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
CID 56785440
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 9080417

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide (CID 60601838) is 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)NCc1cccc(Br)c1)NCc1ccco1.
What is the InChIKey of 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is URHRPKWIPGOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c16-12-4-1-3-11(7-12)8-18-15(21)19-10-14(20)17-9-13-5-2-6-22-13/h1-7H,8-10H2,(H,17,20)(H2,18,19,21).
What are the key properties of 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.22 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).