N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide

C13H18FN3O2 — CID 47192808

IUPACN-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-9(2)12(18)15-6-7-16-13(19)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyFVHHMLNGDPLRBB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.72
Rot. Bonds5

About N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide

N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 47192808) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
PubChem CID47192808
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-9(2)12(18)15-6-7-16-13(19)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyFVHHMLNGDPLRBB-UHFFFAOYSA-N
XLogP1.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 134359780
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide (CID 47192808) is N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is FVHHMLNGDPLRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(2)12(18)15-6-7-16-13(19)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 47192808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).