7-amino-N-(3-bromophenyl)heptanamide;hydrochloride

C13H20BrClN2O — CID 119670373

IUPAC7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O.ClH/c14-11-6-5-7-12(10-11)16-13(17)8-3-1-2-4-9-15;/h5-7,10H,1-4,8-9,15H2,(H,16,17);1H
InChIKeyBOTJXJZEGOMIPC-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.72
Rot. Bonds7

About 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride

7-amino-N-(3-bromophenyl)heptanamide;hydrochloride (PubChem CID 119670373) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
PubChem CID119670373
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O.ClH/c14-11-6-5-7-12(10-11)16-13(17)8-3-1-2-4-9-15;/h5-7,10H,1-4,8-9,15H2,(H,16,17);1H
InChIKeyBOTJXJZEGOMIPC-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)heptanamide
CID 4596383
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
N-(3-bromophenyl)-N'-[2-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]heptanediamide
CID 91971301
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
6-amino-N-(3-ethynylphenyl)hexanamide
CID 24703584
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
CID 119883127
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride (CID 119670373) is 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride?
The InChIKey is BOTJXJZEGOMIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c14-11-6-5-7-12(10-11)16-13(17)8-3-1-2-4-9-15;/h5-7,10H,1-4,8-9,15H2,(H,16,17);1H.
What are the key properties of 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride?
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-bromophenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119670373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).