7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide

C15H23BrN2O — CID 81396989

IUPAC7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
SMILESC[C@H](NC(=O)CCCCCCN)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-12(13-8-5-6-9-14(13)16)18-15(19)10-4-2-3-7-11-17/h5-6,8-9,12H,2-4,7,10-11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBDRQXEYUAZJMPF-LBPRGKRZSA-N
MW327.27 g/mol
LogP3.54
Rot. Bonds8

About 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide

7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide (PubChem CID 81396989) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
PubChem CID81396989
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
SMILESC[C@H](NC(=O)CCCCCCN)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-12(13-8-5-6-9-14(13)16)18-15(19)10-4-2-3-7-11-17/h5-6,8-9,12H,2-4,7,10-11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBDRQXEYUAZJMPF-LBPRGKRZSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.54
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-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide (CID 81396989) is 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide is C[C@H](NC(=O)CCCCCCN)c1ccccc1Br.
What is the InChIKey of 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide?
The InChIKey is BDRQXEYUAZJMPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12(13-8-5-6-9-14(13)16)18-15(19)10-4-2-3-7-11-17/h5-6,8-9,12H,2-4,7,10-11,17H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide?
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide has a molecular weight of 327.27 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide is sourced from PubChem (CID 81396989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).