N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide

C14H16ClFN2O2 — CID 166957676

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
SMILESO=CN(CC(=O)NCc1cccc(Cl)c1F)C1CCC1
InChIInChI=1S/C14H16ClFN2O2/c15-12-6-1-3-10(14(12)16)7-17-13(20)8-18(9-19)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8H2,(H,17,20)
InChIKeyUIQWQSDGHILPGL-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.11
Rot. Bonds6

About N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide (PubChem CID 166957676) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
PubChem CID166957676
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
SMILESO=CN(CC(=O)NCc1cccc(Cl)c1F)C1CCC1
InChIInChI=1S/C14H16ClFN2O2/c15-12-6-1-3-10(14(12)16)7-17-13(20)8-18(9-19)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8H2,(H,17,20)
InChIKeyUIQWQSDGHILPGL-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(6-fluoro-3-formylindazol-1-yl)acetamide
CID 130322799
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclopropyl-[2-[methylamino-[(2E)-penta-2,4-dien-2-yl]amino]acetyl]amino]acetamide
CID 166894284
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formylindole-6-carboxamide
CID 166957682
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide (CID 166957676) is N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide is O=CN(CC(=O)NCc1cccc(Cl)c1F)C1CCC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide?
The InChIKey is UIQWQSDGHILPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c15-12-6-1-3-10(14(12)16)7-17-13(20)8-18(9-19)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8H2,(H,17,20).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide has a molecular weight of 298.74 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide is sourced from PubChem (CID 166957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).