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

C14H17ClN2O — CID 62909232

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-2-3-6-14(18)17-13-10-11(5-4-9-16)7-8-12(13)15/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18)
InChIKeyBYCMBIXIKAEUKC-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.78
Rot. Bonds4

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

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide (PubChem CID 62909232) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
PubChem CID62909232
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-2-3-6-14(18)17-13-10-11(5-4-9-16)7-8-12(13)15/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18)
InChIKeyBYCMBIXIKAEUKC-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.78
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]-4-methylpentanamide
CID 55131668
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]heptanamide
CID 114753355
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 62908898

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide (CID 62909232) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide is CCCCC(=O)Nc1cc(C#CCN)ccc1Cl.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide?
The InChIKey is BYCMBIXIKAEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-3-6-14(18)17-13-10-11(5-4-9-16)7-8-12(13)15/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide has a molecular weight of 264.76 g/mol, XLogP of 2.78, 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]pentanamide is sourced from PubChem (CID 62909232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).