5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide

C14H19ClN2O — CID 114161759

IUPAC5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H19ClN2O/c15-12-5-4-10-8-13(9-11(10)7-12)17-6-2-1-3-14(16)18/h4-5,7,13,17H,1-3,6,8-9H2,(H2,16,18)
InChIKeySGTCQXAOHHDQJV-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.05
Rot. Bonds6

About 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide

5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide (PubChem CID 114161759) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
PubChem CID114161759
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H19ClN2O/c15-12-5-4-10-8-13(9-11(10)7-12)17-6-2-1-3-14(16)18/h4-5,7,13,17H,1-3,6,8-9H2,(H2,16,18)
InChIKeySGTCQXAOHHDQJV-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide?
The IUPAC name of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide (CID 114161759) is 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide is NC(=O)CCCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide?
The InChIKey is SGTCQXAOHHDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-5-4-10-8-13(9-11(10)7-12)17-6-2-1-3-14(16)18/h4-5,7,13,17H,1-3,6,8-9H2,(H2,16,18).
What are the key properties of 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide?
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide has a molecular weight of 266.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide is sourced from PubChem (CID 114161759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).