ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate

C18H19FN2O4 — CID 87043158

IUPACethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2F)c1C
InChIInChI=1S/C18H19FN2O4/c1-4-25-18(23)21-16-7-5-6-15(11(16)2)20-17(22)13-9-8-12(24-3)10-14(13)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNNYPBRQWYLFHHV-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.96
Rot. Bonds5

About ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate

ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate (PubChem CID 87043158) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
PubChem CID87043158
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Nameethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2F)c1C
InChIInChI=1S/C18H19FN2O4/c1-4-25-18(23)21-16-7-5-6-15(11(16)2)20-17(22)13-9-8-12(24-3)10-14(13)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNNYPBRQWYLFHHV-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 104870934
N-(2-amino-4-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 102881866
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate (CID 87043158) is ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2F)c1C.
What is the InChIKey of ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate?
The InChIKey is NNYPBRQWYLFHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-4-25-18(23)21-16-7-5-6-15(11(16)2)20-17(22)13-9-8-12(24-3)10-14(13)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate?
ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate has a molecular weight of 346.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 87043158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).