N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide

C14H14BrClN2O2 — CID 106885136

IUPACN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1
InChIInChI=1S/C14H14BrClN2O2/c1-2-14(19)18-9-3-4-11(16)12(7-9)17-8-13-10(15)5-6-20-13/h3-7,17H,2,8H2,1H3,(H,18,19)
InChIKeyFJEWUWRZUBAHHX-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.66
Rot. Bonds5

About N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide

N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide (PubChem CID 106885136) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
PubChem CID106885136
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC NameN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1
InChIInChI=1S/C14H14BrClN2O2/c1-2-14(19)18-9-3-4-11(16)12(7-9)17-8-13-10(15)5-6-20-13/h3-7,17H,2,8H2,1H3,(H,18,19)
InChIKeyFJEWUWRZUBAHHX-UHFFFAOYSA-N
XLogP4.66
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-nitroaniline
CID 106885206
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide?
The IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide (CID 106885136) is N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide.
What is the SMILES notation for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide?
The canonical SMILES for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1.
What is the InChIKey of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide?
The InChIKey is FJEWUWRZUBAHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-2-14(19)18-9-3-4-11(16)12(7-9)17-8-13-10(15)5-6-20-13/h3-7,17H,2,8H2,1H3,(H,18,19).
What are the key properties of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide?
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide has a molecular weight of 357.64 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide is sourced from PubChem (CID 106885136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).