N-(4-bromopentyl)heptanamide

C12H24BrNO — CID 106131403

IUPACN-(4-bromopentyl)heptanamide
SMILESCCCCCCC(=O)NCCCC(C)Br
InChIInChI=1S/C12H24BrNO/c1-3-4-5-6-9-12(15)14-10-7-8-11(2)13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeySCTDKTXZYDQKEY-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.64
Rot. Bonds9

About N-(4-bromopentyl)heptanamide

N-(4-bromopentyl)heptanamide (PubChem CID 106131403) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(4-bromopentyl)heptanamide.

Molecular Properties

Compound NameN-(4-bromopentyl)heptanamide
PubChem CID106131403
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(4-bromopentyl)heptanamide
SMILESCCCCCCC(=O)NCCCC(C)Br
InChIInChI=1S/C12H24BrNO/c1-3-4-5-6-9-12(15)14-10-7-8-11(2)13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeySCTDKTXZYDQKEY-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)heptanamide?
The IUPAC name of N-(4-bromopentyl)heptanamide (CID 106131403) is N-(4-bromopentyl)heptanamide.
What is the SMILES notation for N-(4-bromopentyl)heptanamide?
The canonical SMILES for N-(4-bromopentyl)heptanamide is CCCCCCC(=O)NCCCC(C)Br.
What is the InChIKey of N-(4-bromopentyl)heptanamide?
The InChIKey is SCTDKTXZYDQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-3-4-5-6-9-12(15)14-10-7-8-11(2)13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromopentyl)heptanamide?
N-(4-bromopentyl)heptanamide has a molecular weight of 278.23 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)heptanamide is sourced from PubChem (CID 106131403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).