N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide

C15H15BrClN3O — CID 114835711

IUPACN-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClN3O/c1-10-2-4-11(5-3-10)15(21)19-7-6-18-14-13(16)8-12(17)9-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyFLDHWOSDMYLLJK-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide

N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide (PubChem CID 114835711) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
PubChem CID114835711
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClN3O/c1-10-2-4-11(5-3-10)15(21)19-7-6-18-14-13(16)8-12(17)9-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyFLDHWOSDMYLLJK-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.65
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-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 106192847
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 86991618
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47061417
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide (CID 114835711) is N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNc2ncc(Cl)cc2Br)cc1.
What is the InChIKey of N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is FLDHWOSDMYLLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-10-2-4-11(5-3-10)15(21)19-7-6-18-14-13(16)8-12(17)9-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 368.66 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 114835711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).