N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide

C14H19BrN2O2 — CID 46736711

IUPACN-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CBr)c1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-4-8-13(18)16-11-6-5-7-12(9-11)17-14(19)10-15/h5-7,9H,2-4,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWTWBFHIFDZAMCB-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.54
Rot. Bonds7

About N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide

N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide (PubChem CID 46736711) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
PubChem CID46736711
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CBr)c1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-4-8-13(18)16-11-6-5-7-12(9-11)17-14(19)10-15/h5-7,9H,2-4,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWTWBFHIFDZAMCB-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-ethylphenyl)decanamide
CID 4053743
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
3-(heptanoylamino)benzamide
CID 54789184
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide?
The IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide (CID 46736711) is N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1.
What is the InChIKey of N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide?
The InChIKey is WTWBFHIFDZAMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-3-4-8-13(18)16-11-6-5-7-12(9-11)17-14(19)10-15/h5-7,9H,2-4,8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide?
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide has a molecular weight of 327.22 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide is sourced from PubChem (CID 46736711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).