N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide

C15H19ClN2O — CID 55131668

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-11(2)5-8-15(19)18-14-10-12(4-3-9-17)6-7-13(14)16/h6-7,10-11H,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyDLEZFORYEFKUHU-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.02
Rot. Bonds4

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide (PubChem CID 55131668) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
PubChem CID55131668
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-11(2)5-8-15(19)18-14-10-12(4-3-9-17)6-7-13(14)16/h6-7,10-11H,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyDLEZFORYEFKUHU-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 62908898
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
CID 62909235
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylimidazole-4-carboxamide
CID 107974092
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62908038
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide (CID 55131668) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1cc(C#CCN)ccc1Cl.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide?
The InChIKey is DLEZFORYEFKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(2)5-8-15(19)18-14-10-12(4-3-9-17)6-7-13(14)16/h6-7,10-11H,5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide has a molecular weight of 278.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide is sourced from PubChem (CID 55131668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).