2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide

C13H18FN3O2 — CID 3386370

IUPAC2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
SMILESCCCCNC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-2-3-8-15-13(19)16-9-12(18)17-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySOBKGPLAQKZYKX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.86
Rot. Bonds6

About 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide

2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide (PubChem CID 3386370) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
PubChem CID3386370
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
SMILESCCCCNC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-2-3-8-15-13(19)16-9-12(18)17-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySOBKGPLAQKZYKX-UHFFFAOYSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butylcarbamoylamino)-N-(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

N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
CID 7356542
N-(2-fluorophenyl)hexanamide
CID 3481165
2-[(4-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772170
N-(2-fluorophenyl)butanamide
CID 849021
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
CID 4261484
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide (CID 3386370) is 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide is CCCCNC(=O)NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide?
The InChIKey is SOBKGPLAQKZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-3-8-15-13(19)16-9-12(18)17-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide?
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide has a molecular weight of 267.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3386370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).