N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide

C15H18FN3O2 — CID 113093208

IUPACN-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)NC1CC1)C1CC1
InChIInChI=1S/C15H18FN3O2/c1-9(20)19(12-5-6-12)14-7-2-10(16)8-13(14)18-15(21)17-11-3-4-11/h2,7-8,11-12H,3-6H2,1H3,(H2,17,18,21)
InChIKeyDEOOSAIVPLIFEG-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide

N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide (PubChem CID 113093208) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide
PubChem CID113093208
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)NC1CC1)C1CC1
InChIInChI=1S/C15H18FN3O2/c1-9(20)19(12-5-6-12)14-7-2-10(16)8-13(14)18-15(21)17-11-3-4-11/h2,7-8,11-12H,3-6H2,1H3,(H2,17,18,21)
InChIKeyDEOOSAIVPLIFEG-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-methylpropanamide
CID 113093144
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
CID 113093183
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
CID 113093168
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
CID 113093162
N-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
CID 113093198
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(4-chlorophenoxy)acetamide
CID 113093181
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide (CID 113093208) is N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide is CC(=O)N(c1ccc(F)cc1NC(=O)NC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide?
The InChIKey is DEOOSAIVPLIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(20)19(12-5-6-12)14-7-2-10(16)8-13(14)18-15(21)17-11-3-4-11/h2,7-8,11-12H,3-6H2,1H3,(H2,17,18,21).
What are the key properties of N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide?
N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide is sourced from PubChem (CID 113093208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).