(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid

C17H14ClNO4 — CID 66798497

IUPAC(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c18-13-4-2-1-3-11(13)16(20)19-14-7-8-23-15-9-10(17(21)22)5-6-12(14)15/h1-6,9,14H,7-8H2,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyILZZCOWGJXHUIY-CQSZACIVSA-N
MW331.75 g/mol
LogP3.29
Rot. Bonds3

About (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid

(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid (PubChem CID 66798497) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid
PubChem CID66798497
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c18-13-4-2-1-3-11(13)16(20)19-14-7-8-23-15-9-10(17(21)22)5-6-12(14)15/h1-6,9,14H,7-8H2,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyILZZCOWGJXHUIY-CQSZACIVSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid?
The IUPAC name of (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid (CID 66798497) is (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid.
What is the SMILES notation for (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid?
The canonical SMILES for (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid is O=C(O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1ccccc1Cl.
What is the InChIKey of (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid?
The InChIKey is ILZZCOWGJXHUIY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14ClNO4/c18-13-4-2-1-3-11(13)16(20)19-14-7-8-23-15-9-10(17(21)22)5-6-12(14)15/h1-6,9,14H,7-8H2,(H,19,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid?
(4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid has a molecular weight of 331.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromene-7-carboxylic acid is sourced from PubChem (CID 66798497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).