N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide

C14H17F2N3O2 — CID 113063349

IUPACN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c1-9(20)19(13-5-2-10(15)8-12(13)16)7-6-17-14(21)18-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H2,17,18,21)
InChIKeyTXPLGVIQDSCPJZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.78
Rot. Bonds5

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

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113063349) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID113063349
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c1-9(20)19(13-5-2-10(15)8-12(13)16)7-6-17-14(21)18-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H2,17,18,21)
InChIKeyTXPLGVIQDSCPJZ-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113062891
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
CID 113063345
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063351
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054591

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide (CID 113063349) is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CCNC(=O)NC1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is TXPLGVIQDSCPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-9(20)19(13-5-2-10(15)8-12(13)16)7-6-17-14(21)18-11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H2,17,18,21).
What are the key properties of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide?
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 1.78, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113063349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).