N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride

C14H21BrClN3O2 — CID 119739124

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H20BrN3O2.ClH/c1-16-9-2-3-13(19)17-10-8-14(20)18-12-6-4-11(15)5-7-12;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyVIKCDFYQJUXPDR-UHFFFAOYSA-N
MW378.70 g/mol
LogP2.32
Rot. Bonds8

About N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride

N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119739124) has the molecular formula C14H21BrClN3O2 and a molecular weight of 378.70 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119739124
Molecular FormulaC14H21BrClN3O2
Molecular Weight378.70 g/mol
Exact Mass377.05
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H20BrN3O2.ClH/c1-16-9-2-3-13(19)17-10-8-14(20)18-12-6-4-11(15)5-7-12;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyVIKCDFYQJUXPDR-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 52.32
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

N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride (CID 119739124) is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is VIKCDFYQJUXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2.ClH/c1-16-9-2-3-13(19)17-10-8-14(20)18-12-6-4-11(15)5-7-12;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 378.70 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119739124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).