N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide

C13H18FN3O2 — CID 86993800

IUPACN-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)8-17-13(19)16-7-10-4-5-11(14)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyWVROSTDKAPUUOM-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.07
Rot. Bonds5

About N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide

N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 86993800) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID86993800
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)8-17-13(19)16-7-10-4-5-11(14)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyWVROSTDKAPUUOM-UHFFFAOYSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
1-ethyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853632
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185958
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438054
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide (CID 86993800) is N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide is CCNC(=O)CNC(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is WVROSTDKAPUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-15-12(18)8-17-13(19)16-7-10-4-5-11(14)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide?
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 267.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 86993800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).