N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide

C13H17ClN2O2 — CID 108574801

IUPACN-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-5-3-4-6-11(9)13(18)16-8-7-15-12(17)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZRVJDNIIZXOGCR-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide

N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide (PubChem CID 108574801) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
PubChem CID108574801
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-5-3-4-6-11(9)13(18)16-8-7-15-12(17)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZRVJDNIIZXOGCR-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.47
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-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574788
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide (CID 108574801) is N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNC(=O)C(C)Cl.
What is the InChIKey of N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide?
The InChIKey is ZRVJDNIIZXOGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-5-3-4-6-11(9)13(18)16-8-7-15-12(17)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide?
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 108574801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).