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

C14H18FN3O2 — CID 113059350

IUPACN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-10(19)18(13-6-2-11(15)3-7-13)9-8-16-14(20)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,16,17,20)
InChIKeyAODDIRZQBHKBJN-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.64
Rot. Bonds5

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

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide (PubChem CID 113059350) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
PubChem CID113059350
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-10(19)18(13-6-2-11(15)3-7-13)9-8-16-14(20)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,16,17,20)
InChIKeyAODDIRZQBHKBJN-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113061686
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide (CID 113059350) is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is AODDIRZQBHKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10(19)18(13-6-2-11(15)3-7-13)9-8-16-14(20)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,16,17,20).
What are the key properties of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide?
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 279.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113059350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).