N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide

C14H16ClFN2O — CID 166772330

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1F)C1CC2(CC2)CN1
InChIInChI=1S/C14H16ClFN2O/c15-10-3-1-2-9(12(10)16)7-17-13(19)11-6-14(4-5-14)8-18-11/h1-3,11,18H,4-8H2,(H,17,19)
InChIKeyNLTFPGJYNSEPOH-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.24
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide

N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 166772330) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID166772330
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1F)C1CC2(CC2)CN1
InChIInChI=1S/C14H16ClFN2O/c15-10-3-1-2-9(12(10)16)7-17-13(19)11-6-14(4-5-14)8-18-11/h1-3,11,18H,4-8H2,(H,17,19)
InChIKeyNLTFPGJYNSEPOH-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-4-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 130322558
(1R,3S,5S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-iodo-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126641393
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
N-[(3-chloro-2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide
CID 123616279
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 123841622
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoro-4-methylpyrrolidine-1-carboxylic acid
CID 141341383
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
2-tert-butyl-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid;(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 118324895
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72842778

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 166772330) is N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide is O=C(NCc1cccc(Cl)c1F)C1CC2(CC2)CN1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is NLTFPGJYNSEPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-10-3-1-2-9(12(10)16)7-17-13(19)11-6-14(4-5-14)8-18-11/h1-3,11,18H,4-8H2,(H,17,19).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide?
N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 166772330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).