2-chloro-4-methyl-N-pentylbenzamide

C13H18ClNO — CID 99835956

IUPAC2-chloro-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHFAPLLUKOQXMER-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-4-methyl-N-pentylbenzamide

2-chloro-4-methyl-N-pentylbenzamide (PubChem CID 99835956) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-pentylbenzamide
PubChem CID99835956
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHFAPLLUKOQXMER-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.57
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

N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2,4-dichloro-N-nonylbenzamide
CID 3596264
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
2-chloro-N-undecylbenzamide
CID 3373978
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-pentylbenzamide?
The IUPAC name of 2-chloro-4-methyl-N-pentylbenzamide (CID 99835956) is 2-chloro-4-methyl-N-pentylbenzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-pentylbenzamide?
The canonical SMILES for 2-chloro-4-methyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-pentylbenzamide?
The InChIKey is HFAPLLUKOQXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-4-methyl-N-pentylbenzamide?
2-chloro-4-methyl-N-pentylbenzamide has a molecular weight of 239.75 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-pentylbenzamide is sourced from PubChem (CID 99835956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).