7-amino-N-(4-bromophenyl)heptanamide;hydrochloride

C13H20BrClN2O — CID 119670334

IUPAC7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O.ClH/c14-11-6-8-12(9-7-11)16-13(17)5-3-1-2-4-10-15;/h6-9H,1-5,10,15H2,(H,16,17);1H
InChIKeyQNMNEICGYYJNHC-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.72
Rot. Bonds7

About 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride

7-amino-N-(4-bromophenyl)heptanamide;hydrochloride (PubChem CID 119670334) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
PubChem CID119670334
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O.ClH/c14-11-6-8-12(9-7-11)16-13(17)5-3-1-2-4-10-15;/h6-9H,1-5,10,15H2,(H,16,17);1H
InChIKeyQNMNEICGYYJNHC-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

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride (CID 119670334) is 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride?
The InChIKey is QNMNEICGYYJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c14-11-6-8-12(9-7-11)16-13(17)5-3-1-2-4-10-15;/h6-9H,1-5,10,15H2,(H,16,17);1H.
What are the key properties of 7-amino-N-(4-bromophenyl)heptanamide;hydrochloride?
7-amino-N-(4-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-(4-bromophenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119670334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).