2-chloro-N-undecylbenzamide

C18H28ClNO — CID 3373978

IUPAC2-chloro-N-undecylbenzamide
SMILESCCCCCCCCCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-8-9-12-15-20-18(21)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21)
InChIKeyDEBKRCDZDHPIGM-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.60
Rot. Bonds11

About 2-chloro-N-undecylbenzamide

2-chloro-N-undecylbenzamide (PubChem CID 3373978) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-chloro-N-undecylbenzamide.

Molecular Properties

Compound Name2-chloro-N-undecylbenzamide
PubChem CID3373978
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-chloro-N-undecylbenzamide
SMILESCCCCCCCCCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-8-9-12-15-20-18(21)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21)
InChIKeyDEBKRCDZDHPIGM-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
2-(nonylcarbamoyl)benzoic acid
CID 177437719
N-hexyl-2-methylbenzamide
CID 3017102
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
2,4-dichloro-N-nonylbenzamide
CID 3596264
2-amino-N-dodecylbenzamide
CID 54099396
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-undecylbenzamide?
The IUPAC name of 2-chloro-N-undecylbenzamide (CID 3373978) is 2-chloro-N-undecylbenzamide.
What is the SMILES notation for 2-chloro-N-undecylbenzamide?
The canonical SMILES for 2-chloro-N-undecylbenzamide is CCCCCCCCCCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-undecylbenzamide?
The InChIKey is DEBKRCDZDHPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-8-9-12-15-20-18(21)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-undecylbenzamide?
2-chloro-N-undecylbenzamide has a molecular weight of 309.88 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-undecylbenzamide is sourced from PubChem (CID 3373978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).