N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide

C15H21ClN2O2 — CID 60966598

IUPACN-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCCCCl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-14(19)4-2-3-9-16/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMSVWAADAXZMIPW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.25
Rot. Bonds8

About N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide

N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide (PubChem CID 60966598) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
PubChem CID60966598
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCCCCl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-14(19)4-2-3-9-16/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMSVWAADAXZMIPW-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide (CID 60966598) is N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CCCCCl)cc1.
What is the InChIKey of N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide?
The InChIKey is MSVWAADAXZMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-14(19)4-2-3-9-16/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide?
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide has a molecular weight of 296.80 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 60966598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).