methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate

C19H20FN3O3 — CID 87035283

IUPACmethyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
SMILESC=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C19H20FN3O3/c1-3-11-23(13-14-7-4-5-10-17(14)20)18(24)21-15-8-6-9-16(12-15)22-19(25)26-2/h3-10,12H,1,11,13H2,2H3,(H,21,24)(H,22,25)
InChIKeyHEDOSSQKWTXFCP-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.22
Rot. Bonds6

About methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate

methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate (PubChem CID 87035283) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
PubChem CID87035283
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Namemethyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
SMILESC=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C19H20FN3O3/c1-3-11-23(13-14-7-4-5-10-17(14)20)18(24)21-15-8-6-9-16(12-15)22-19(25)26-2/h3-10,12H,1,11,13H2,2H3,(H,21,24)(H,22,25)
InChIKeyHEDOSSQKWTXFCP-UHFFFAOYSA-N
XLogP4.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
2-[(3-fluorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79265189
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
2-[3-[[benzyl(prop-2-enyl)carbamoyl]amino]phenoxy]-N,N-dimethylacetamide
CID 51118808
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 103339889
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
CID 56794238

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate (CID 87035283) is methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate is C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate?
The InChIKey is HEDOSSQKWTXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-3-11-23(13-14-7-4-5-10-17(14)20)18(24)21-15-8-6-9-16(12-15)22-19(25)26-2/h3-10,12H,1,11,13H2,2H3,(H,21,24)(H,22,25).
What are the key properties of methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate?
methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate has a molecular weight of 357.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate is sourced from PubChem (CID 87035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).