[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate

C19H19FN2O3 — CID 174918870

IUPAC[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate
SMILESCC(C1CC1)N(C(=O)c1ccccc1)c1cccc(OC(N)=O)c1F
InChIInChI=1S/C19H19FN2O3/c1-12(13-10-11-13)22(18(23)14-6-3-2-4-7-14)15-8-5-9-16(17(15)20)25-19(21)24/h2-9,12-13H,10-11H2,1H3,(H2,21,24)
InChIKeySHGLUYMYKFXQBA-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.73
Rot. Bonds5

About [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate

[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate (PubChem CID 174918870) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate
PubChem CID174918870
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate
SMILESCC(C1CC1)N(C(=O)c1ccccc1)c1cccc(OC(N)=O)c1F
InChIInChI=1S/C19H19FN2O3/c1-12(13-10-11-13)22(18(23)14-6-3-2-4-7-14)15-8-5-9-16(17(15)20)25-19(21)24/h2-9,12-13H,10-11H2,1H3,(H2,21,24)
InChIKeySHGLUYMYKFXQBA-UHFFFAOYSA-N
XLogP3.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate 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-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyphenyl)benzamide
CID 4963037
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
[2-(dimethylamino)phenyl] carbamate
CID 163610116
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
CID 42108646
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
N-(2-fluorophenyl)-N-propan-2-ylbenzamide
CID 141030490
(2,3-difluorophenyl) carbamate
CID 154511519
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 118247037
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide
CID 160984605

Frequently Asked Questions

What is the IUPAC name of [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate?
The IUPAC name of [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate (CID 174918870) is [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate?
The canonical SMILES for [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate is CC(C1CC1)N(C(=O)c1ccccc1)c1cccc(OC(N)=O)c1F.
What is the InChIKey of [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate?
The InChIKey is SHGLUYMYKFXQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12(13-10-11-13)22(18(23)14-6-3-2-4-7-14)15-8-5-9-16(17(15)20)25-19(21)24/h2-9,12-13H,10-11H2,1H3,(H2,21,24).
What are the key properties of [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate?
[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate has a molecular weight of 342.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate is sourced from PubChem (CID 174918870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).