2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide

C14H17F2N3O3 — CID 126839183

IUPAC2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide
SMILESCOc1c(F)cc(NC(=O)NC2(CC(N)=O)CCC2)cc1F
InChIInChI=1S/C14H17F2N3O3/c1-22-12-9(15)5-8(6-10(12)16)18-13(21)19-14(3-2-4-14)7-11(17)20/h5-6H,2-4,7H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyACRKAMBSFOYSTQ-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.89
Rot. Bonds5

About 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide

2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide (PubChem CID 126839183) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide
PubChem CID126839183
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide
SMILESCOc1c(F)cc(NC(=O)NC2(CC(N)=O)CCC2)cc1F
InChIInChI=1S/C14H17F2N3O3/c1-22-12-9(15)5-8(6-10(12)16)18-13(21)19-14(3-2-4-14)7-11(17)20/h5-6H,2-4,7H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyACRKAMBSFOYSTQ-UHFFFAOYSA-N
XLogP1.89
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide?
The IUPAC name of 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide (CID 126839183) is 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide.
What is the SMILES notation for 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide?
The canonical SMILES for 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide is COc1c(F)cc(NC(=O)NC2(CC(N)=O)CCC2)cc1F.
What is the InChIKey of 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide?
The InChIKey is ACRKAMBSFOYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-22-12-9(15)5-8(6-10(12)16)18-13(21)19-14(3-2-4-14)7-11(17)20/h5-6H,2-4,7H2,1H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide?
2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide has a molecular weight of 313.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide is sourced from PubChem (CID 126839183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).