3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide

C14H17ClN2O — CID 110461021

IUPAC3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H17ClN2O/c15-6-5-14(18)16-12-2-1-10-8-17(13-3-4-13)9-11(10)7-12/h1-2,7,13H,3-6,8-9H2,(H,16,18)
InChIKeyHUYBDQLOVFYAEX-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.73
Rot. Bonds4

About 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide

3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide (PubChem CID 110461021) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
PubChem CID110461021
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H17ClN2O/c15-6-5-14(18)16-12-2-1-10-8-17(13-3-4-13)9-11(10)7-12/h1-2,7,13H,3-6,8-9H2,(H,16,18)
InChIKeyHUYBDQLOVFYAEX-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
CID 110460533
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
CID 110461592
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
CID 117396653
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055291
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide (CID 110461021) is 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide is O=C(CCCl)Nc1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is HUYBDQLOVFYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-6-5-14(18)16-12-2-1-10-8-17(13-3-4-13)9-11(10)7-12/h1-2,7,13H,3-6,8-9H2,(H,16,18).
What are the key properties of 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide?
3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 264.76 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 110461021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).