7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride

C14H22BrClN2O — CID 119704606

IUPAC7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)cc1Br.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-11-7-8-12(10-13(11)15)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H
InChIKeyDMDHENVFUNNJHB-UHFFFAOYSA-N
MW349.70 g/mol
LogP4.03
Rot. Bonds7

About 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride

7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride (PubChem CID 119704606) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
PubChem CID119704606
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)cc1Br.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-11-7-8-12(10-13(11)15)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H
InChIKeyDMDHENVFUNNJHB-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 54.03
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-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride (CID 119704606) is 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride is Cc1ccc(NC(=O)CCCCCCN)cc1Br.Cl.
What is the InChIKey of 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride?
The InChIKey is DMDHENVFUNNJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-11-7-8-12(10-13(11)15)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H.
What are the key properties of 7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride?
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 4.03, 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-bromo-4-methylphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119704606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).