2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide

C11H12ClFN2O — CID 167754693

IUPAC2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C(F)Cl)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H12ClFN2O/c12-10(13)11(16)15(9-1-2-9)7-8-3-5-14-6-4-8/h3-6,9-10H,1-2,7H2
InChIKeyZIXBVYBXEXWRAF-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide

2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 167754693) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
PubChem CID167754693
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C(F)Cl)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H12ClFN2O/c12-10(13)11(16)15(9-1-2-9)7-8-3-5-14-6-4-8/h3-6,9-10H,1-2,7H2
InChIKeyZIXBVYBXEXWRAF-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 72881383
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
CID 55602806
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-2-imidazol-1-yl-N-(pyridin-4-ylmethyl)acetamide
CID 91777308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide (CID 167754693) is 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide is O=C(C(F)Cl)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZIXBVYBXEXWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-10(13)11(16)15(9-1-2-9)7-8-3-5-14-6-4-8/h3-6,9-10H,1-2,7H2.
What are the key properties of 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide?
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 242.68 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 167754693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).