2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide

C15H14ClFN2O2 — CID 167961837

IUPAC2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)C(F)Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13(17)14(20)19-9-12-7-4-8-18-15(12)21-10-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,19,20)
InChIKeyCVJGUSPRMAAZTD-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.81
Rot. Bonds6

About 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide

2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide (PubChem CID 167961837) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
PubChem CID167961837
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)C(F)Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13(17)14(20)19-9-12-7-4-8-18-15(12)21-10-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,19,20)
InChIKeyCVJGUSPRMAAZTD-UHFFFAOYSA-N
XLogP2.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxy-3-pyridinyl)methyl]-2-chloro-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427986
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
CID 94186199
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 78879326
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60515107
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94186224
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
N,N-dimethyl-4-[[[N'-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111872927
2-methyl-1-[(4-methylphenyl)methyl]-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111245303
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide (CID 167961837) is 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide is O=C(NCc1cccnc1OCc1ccccc1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is CVJGUSPRMAAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13(17)14(20)19-9-12-7-4-8-18-15(12)21-10-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,19,20).
What are the key properties of 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide?
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 308.74 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 167961837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).