N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide

C14H15BrN2O2 — CID 109018711

IUPACN-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C14H15BrN2O2/c15-12-5-1-2-6-13(12)17-14(18)7-8-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18)
InChIKeyJWGRJABIOXGCDM-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.16
Rot. Bonds6

About N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide

N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide (PubChem CID 109018711) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
PubChem CID109018711
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C14H15BrN2O2/c15-12-5-1-2-6-13(12)17-14(18)7-8-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18)
InChIKeyJWGRJABIOXGCDM-UHFFFAOYSA-N
XLogP3.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022224
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-bromophenyl)propanamide
CID 109022837
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 109011813
4-bromo-3-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 107812592
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide (CID 109018711) is N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide is O=C(CCNCc1ccco1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide?
The InChIKey is JWGRJABIOXGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-12-5-1-2-6-13(12)17-14(18)7-8-16-10-11-4-3-9-19-11/h1-6,9,16H,7-8,10H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide?
N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide has a molecular weight of 323.19 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109018711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).