1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea

C12H17FN2O — CID 115575226

IUPAC1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(2)14-12(16)15(3)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyPLDXOXJYQKCXDI-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.38
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea

1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea (PubChem CID 115575226) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
PubChem CID115575226
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(2)14-12(16)15(3)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyPLDXOXJYQKCXDI-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea 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

(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 61413250
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
CID 66431998
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea (CID 115575226) is 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is PLDXOXJYQKCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(2)14-12(16)15(3)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea?
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 224.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 115575226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).