5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide

C14H19BrN2O2 — CID 114014721

IUPAC5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCCBr
InChIInChI=1S/C14H19BrN2O2/c1-16-14(19)10-11-6-2-3-7-12(11)17-13(18)8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyQMNCJNHYZBZTMN-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.48
Rot. Bonds7

About 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide

5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide (PubChem CID 114014721) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
PubChem CID114014721
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCCBr
InChIInChI=1S/C14H19BrN2O2/c1-16-14(19)10-11-6-2-3-7-12(11)17-13(18)8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyQMNCJNHYZBZTMN-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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'}

Analyze 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
CID 107908909
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
5-bromo-N-methylpentanamide
CID 19971018
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide (CID 114014721) is 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide is CNC(=O)Cc1ccccc1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The InChIKey is QMNCJNHYZBZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-14(19)10-11-6-2-3-7-12(11)17-13(18)8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide has a molecular weight of 327.22 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide is sourced from PubChem (CID 114014721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).