methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C19H17ClFNO3 — CID 67546880

IUPACmethyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)CCCC2NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H17ClFNO3/c1-25-19(24)14-10-13-11(9-16(14)21)5-4-8-17(13)22-18(23)12-6-2-3-7-15(12)20/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,22,23)
InChIKeyURXXYWZKFJYYDJ-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.07
Rot. Bonds3

About methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 67546880) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID67546880
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC Namemethyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)CCCC2NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H17ClFNO3/c1-25-19(24)14-10-13-11(9-16(14)21)5-4-8-17(13)22-18(23)12-6-2-3-7-15(12)20/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,22,23)
InChIKeyURXXYWZKFJYYDJ-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 67546880) is methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1cc2c(cc1F)CCCC2NC(=O)c1ccccc1Cl.
What is the InChIKey of methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is URXXYWZKFJYYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-25-19(24)14-10-13-11(9-16(14)21)5-4-8-17(13)22-18(23)12-6-2-3-7-15(12)20/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,22,23).
What are the key properties of methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 361.80 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 67546880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).