5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

C16H23ClN2O — CID 43701552

IUPAC5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C16H23ClN2O/c17-10-4-3-9-16(20)18-15-8-2-1-7-14(15)13-19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2,(H,18,20)
InChIKeyAYVRDBPPXNNEAG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.63
Rot. Bonds7

About 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (PubChem CID 43701552) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
PubChem CID43701552
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C16H23ClN2O/c17-10-4-3-9-16(20)18-15-8-2-1-7-14(15)13-19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2,(H,18,20)
InChIKeyAYVRDBPPXNNEAG-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
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

4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55677050
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
CID 19599425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (CID 43701552) is 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is O=C(CCCCCl)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The InChIKey is AYVRDBPPXNNEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-10-4-3-9-16(20)18-15-8-2-1-7-14(15)13-19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2,(H,18,20).
What are the key properties of 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide has a molecular weight of 294.83 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 43701552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).