N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide

C12H14FN3O2 — CID 47162368

IUPACN-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H14FN3O2/c1-7(17)14-11-6-9(4-5-10(11)13)16-12(18)15-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyAFGMRTPBJIHBND-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.07
Rot. Bonds3

About N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide

N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide (PubChem CID 47162368) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
PubChem CID47162368
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H14FN3O2/c1-7(17)14-11-6-9(4-5-10(11)13)16-12(18)15-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyAFGMRTPBJIHBND-UHFFFAOYSA-N
XLogP2.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-fluoro-3-(methylamino)phenyl]-3-spiro[5.5]undecan-3-ylurea
CID 155742466
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098
3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 86830681
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide (CID 47162368) is N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NC(=O)NC2CC2)ccc1F.
What is the InChIKey of N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide?
The InChIKey is AFGMRTPBJIHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7(17)14-11-6-9(4-5-10(11)13)16-12(18)15-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide?
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide has a molecular weight of 251.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide is sourced from PubChem (CID 47162368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).