N-(12-chloro-2-methyldodecan-2-yl)formamide

C14H28ClNO — CID 71601715

IUPACN-(12-chloro-2-methyldodecan-2-yl)formamide
SMILESCC(C)(CCCCCCCCCCCl)NC=O
InChIInChI=1S/C14H28ClNO/c1-14(2,16-13-17)11-9-7-5-3-4-6-8-10-12-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyDHSIKLHLODMBGP-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.26
Rot. Bonds12

About N-(12-chloro-2-methyldodecan-2-yl)formamide

N-(12-chloro-2-methyldodecan-2-yl)formamide (PubChem CID 71601715) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(12-chloro-2-methyldodecan-2-yl)formamide.

Molecular Properties

Compound NameN-(12-chloro-2-methyldodecan-2-yl)formamide
PubChem CID71601715
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(12-chloro-2-methyldodecan-2-yl)formamide
SMILESCC(C)(CCCCCCCCCCCl)NC=O
InChIInChI=1S/C14H28ClNO/c1-14(2,16-13-17)11-9-7-5-3-4-6-8-10-12-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyDHSIKLHLODMBGP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(12-chloro-2-methyldodecan-2-yl)formamide?
The IUPAC name of N-(12-chloro-2-methyldodecan-2-yl)formamide (CID 71601715) is N-(12-chloro-2-methyldodecan-2-yl)formamide.
What is the SMILES notation for N-(12-chloro-2-methyldodecan-2-yl)formamide?
The canonical SMILES for N-(12-chloro-2-methyldodecan-2-yl)formamide is CC(C)(CCCCCCCCCCCl)NC=O.
What is the InChIKey of N-(12-chloro-2-methyldodecan-2-yl)formamide?
The InChIKey is DHSIKLHLODMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-14(2,16-13-17)11-9-7-5-3-4-6-8-10-12-15/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(12-chloro-2-methyldodecan-2-yl)formamide?
N-(12-chloro-2-methyldodecan-2-yl)formamide has a molecular weight of 261.84 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-chloro-2-methyldodecan-2-yl)formamide is sourced from PubChem (CID 71601715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).