(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C18H15ClFNO3 — CID 59505656

IUPAC(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CCC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClFNO3/c19-14-6-2-1-5-11(14)17(22)21-16-7-3-4-10-8-15(20)13(18(23)24)9-12(10)16/h1-2,5-6,8-9,16H,3-4,7H2,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyQRZYHJMSNXNSEW-MRXNPFEDSA-N
MW347.77 g/mol
LogP3.98
Rot. Bonds3

About (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 59505656) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID59505656
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CCC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClFNO3/c19-14-6-2-1-5-11(14)17(22)21-16-7-3-4-10-8-15(20)13(18(23)24)9-12(10)16/h1-2,5-6,8-9,16H,3-4,7H2,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyQRZYHJMSNXNSEW-MRXNPFEDSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 59505656) is (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1cc2c(cc1F)CCC[C@H]2NC(=O)c1ccccc1Cl.
What is the InChIKey of (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QRZYHJMSNXNSEW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c19-14-6-2-1-5-11(14)17(22)21-16-7-3-4-10-8-15(20)13(18(23)24)9-12(10)16/h1-2,5-6,8-9,16H,3-4,7H2,(H,21,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 347.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 59505656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).