(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate

C18H14ClNO4 — CID 54771855

IUPAC(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
SMILESCc1cc(=O)oc2cc(OC(=O)CNc3ccccc3Cl)ccc12
InChIInChI=1S/C18H14ClNO4/c1-11-8-17(21)24-16-9-12(6-7-13(11)16)23-18(22)10-20-15-5-3-2-4-14(15)19/h2-9,20H,10H2,1H3
InChIKeySJZPTPSWWZAZGD-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.77
Rot. Bonds4

About (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate

(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate (PubChem CID 54771855) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
PubChem CID54771855
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
SMILESCc1cc(=O)oc2cc(OC(=O)CNc3ccccc3Cl)ccc12
InChIInChI=1S/C18H14ClNO4/c1-11-8-17(21)24-16-9-12(6-7-13(11)16)23-18(22)10-20-15-5-3-2-4-14(15)19/h2-9,20H,10H2,1H3
InChIKeySJZPTPSWWZAZGD-UHFFFAOYSA-N
XLogP3.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
(4-methyl-2-oxochromen-7-yl) 2-chlorobenzoate
CID 802470
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
(4-methyl-2-oxochromen-7-yl) (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2408157
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 26561023
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate (CID 54771855) is (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate is Cc1cc(=O)oc2cc(OC(=O)CNc3ccccc3Cl)ccc12.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate?
The InChIKey is SJZPTPSWWZAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11-8-17(21)24-16-9-12(6-7-13(11)16)23-18(22)10-20-15-5-3-2-4-14(15)19/h2-9,20H,10H2,1H3.
What are the key properties of (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate?
(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate has a molecular weight of 343.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate is sourced from PubChem (CID 54771855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).