(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate

C16H16FNO2 — CID 127520358

IUPAC(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-8-15(12(2)9-11)18-16(19)20-10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVKQWEYONMUFMJO-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.19
Rot. Bonds3

About (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate

(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate (PubChem CID 127520358) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
PubChem CID127520358
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-8-15(12(2)9-11)18-16(19)20-10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVKQWEYONMUFMJO-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7430388
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330692
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 3714808
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate (CID 127520358) is (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate is Cc1ccc(NC(=O)OCc2ccccc2F)c(C)c1.
What is the InChIKey of (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate?
The InChIKey is VKQWEYONMUFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-7-8-15(12(2)9-11)18-16(19)20-10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate?
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate has a molecular weight of 273.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 127520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).