N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

C15H21ClN2O3 — CID 111121338

IUPACN-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-3-6-9-18(10-11-19)15(21)14(20)17-13-8-5-4-7-12(13)16/h4-5,7-8,19H,2-3,6,9-11H2,1H3,(H,17,20)
InChIKeyFVAKMSQDXXZJPI-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.29
Rot. Bonds7

About N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (PubChem CID 111121338) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
PubChem CID111121338
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-3-6-9-18(10-11-19)15(21)14(20)17-13-8-5-4-7-12(13)16/h4-5,7-8,19H,2-3,6,9-11H2,1H3,(H,17,20)
InChIKeyFVAKMSQDXXZJPI-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121347
N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121343
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N-(2-chlorophenyl)hexanamide
CID 4644560
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108501514

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (CID 111121338) is N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is CCCCCN(CCO)C(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The InChIKey is FVAKMSQDXXZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-3-6-9-18(10-11-19)15(21)14(20)17-13-8-5-4-7-12(13)16/h4-5,7-8,19H,2-3,6,9-11H2,1H3,(H,17,20).
What are the key properties of N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide has a molecular weight of 312.80 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is sourced from PubChem (CID 111121338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).