N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride

C15H23BrClN3O2 — CID 119764217

IUPACN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-11-5-6-12(16)10-13(11)19-15(21)7-9-18-14(20)4-3-8-17-2;/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyLYGZUKNDSOIBOJ-UHFFFAOYSA-N
MW392.73 g/mol
LogP2.62
Rot. Bonds8

About N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride

N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119764217) has the molecular formula C15H23BrClN3O2 and a molecular weight of 392.73 g/mol. Its IUPAC name is N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119764217
Molecular FormulaC15H23BrClN3O2
Molecular Weight392.73 g/mol
Exact Mass391.07
IUPAC NameN-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-11-5-6-12(16)10-13(11)19-15(21)7-9-18-14(20)4-3-8-17-2;/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyLYGZUKNDSOIBOJ-UHFFFAOYSA-N
XLogP2.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
4-bromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 61160936
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
CID 60610354

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride (CID 119764217) is N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCC(=O)Nc1cc(Br)ccc1C.Cl.
What is the InChIKey of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LYGZUKNDSOIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.ClH/c1-11-5-6-12(16)10-13(11)19-15(21)7-9-18-14(20)4-3-8-17-2;/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 392.73 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119764217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).