N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide

C11H14BrClN2O — CID 43700570

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C11H14BrClN2O/c1-7(13)11(16)14-9-6-8(12)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16)
InChIKeyWQLUSBDNWUEYGZ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.08
Rot. Bonds3

About N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide (PubChem CID 43700570) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
PubChem CID43700570
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C11H14BrClN2O/c1-7(13)11(16)14-9-6-8(12)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16)
InChIKeyWQLUSBDNWUEYGZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide (CID 43700570) is N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide is CC(Cl)C(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide?
The InChIKey is WQLUSBDNWUEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7(13)11(16)14-9-6-8(12)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide has a molecular weight of 305.60 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide is sourced from PubChem (CID 43700570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).