7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide

C14H20BrFN2O — CID 107592189

IUPAC7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H20BrFN2O/c1-10-8-12(16)11(15)9-13(10)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyBGKLOWDAVWKWIU-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.74
Rot. Bonds7

About 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide

7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide (PubChem CID 107592189) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
PubChem CID107592189
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H20BrFN2O/c1-10-8-12(16)11(15)9-13(10)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyBGKLOWDAVWKWIU-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.74
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

4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide?
The IUPAC name of 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide (CID 107592189) is 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide is Cc1cc(F)c(Br)cc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide?
The InChIKey is BGKLOWDAVWKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-10-8-12(16)11(15)9-13(10)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide?
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide has a molecular weight of 331.23 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide is sourced from PubChem (CID 107592189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).