2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide

C13H17ClN2O3 — CID 79198792

IUPAC2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)CCCCO)ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-15-13(19)10-8-9(5-6-11(10)14)16-12(18)4-2-3-7-17/h5-6,8,17H,2-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyPLLJLWBTXRYHJX-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.80
Rot. Bonds6

About 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide

2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide (PubChem CID 79198792) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
PubChem CID79198792
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)CCCCO)ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-15-13(19)10-8-9(5-6-11(10)14)16-12(18)4-2-3-7-17/h5-6,8,17H,2-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyPLLJLWBTXRYHJX-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
CID 125431915
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide (CID 79198792) is 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide is CNC(=O)c1cc(NC(=O)CCCCO)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide?
The InChIKey is PLLJLWBTXRYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-15-13(19)10-8-9(5-6-11(10)14)16-12(18)4-2-3-7-17/h5-6,8,17H,2-4,7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide?
2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide is sourced from PubChem (CID 79198792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).