(4S)-4-(chloromethyl)-2-pentylnonanamide

C15H30ClNO — CID 59911731

IUPAC(4S)-4-(chloromethyl)-2-pentylnonanamide
SMILESCCCCCC(C[C@@H](CCl)CCCCC)C(N)=O
InChIInChI=1S/C15H30ClNO/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18)/t13-,14?/m0/s1
InChIKeyOOQGZWISPPJFGZ-LSLKUGRBSA-N
MW275.86 g/mol
LogP4.49
Rot. Bonds12

About (4S)-4-(chloromethyl)-2-pentylnonanamide

(4S)-4-(chloromethyl)-2-pentylnonanamide (PubChem CID 59911731) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is (4S)-4-(chloromethyl)-2-pentylnonanamide.

Molecular Properties

Compound Name(4S)-4-(chloromethyl)-2-pentylnonanamide
PubChem CID59911731
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC Name(4S)-4-(chloromethyl)-2-pentylnonanamide
SMILESCCCCCC(C[C@@H](CCl)CCCCC)C(N)=O
InChIInChI=1S/C15H30ClNO/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18)/t13-,14?/m0/s1
InChIKeyOOQGZWISPPJFGZ-LSLKUGRBSA-N
XLogP4.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 54.49
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

4-(aminomethyl)-2-pentylnonanamide
CID 23386238
4-carbamoyl-2-pentylnonanoic acid
CID 20609426
2-(2-chloroheptyl)decanamide
CID 57359712
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
azane;2-ethyldodecanamide
CID 174462460
2-decyl-4-hexyldodecanoic acid
CID 23195131

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(chloromethyl)-2-pentylnonanamide?
The IUPAC name of (4S)-4-(chloromethyl)-2-pentylnonanamide (CID 59911731) is (4S)-4-(chloromethyl)-2-pentylnonanamide.
What is the SMILES notation for (4S)-4-(chloromethyl)-2-pentylnonanamide?
The canonical SMILES for (4S)-4-(chloromethyl)-2-pentylnonanamide is CCCCCC(C[C@@H](CCl)CCCCC)C(N)=O.
What is the InChIKey of (4S)-4-(chloromethyl)-2-pentylnonanamide?
The InChIKey is OOQGZWISPPJFGZ-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18)/t13-,14?/m0/s1.
What are the key properties of (4S)-4-(chloromethyl)-2-pentylnonanamide?
(4S)-4-(chloromethyl)-2-pentylnonanamide has a molecular weight of 275.86 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(chloromethyl)-2-pentylnonanamide is sourced from PubChem (CID 59911731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).