(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate

C23H15Cl2NO4 — CID 3970988

IUPAC(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
SMILESCc1oc2cc(OC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H15Cl2NO4/c1-13-21(14-5-3-2-4-6-14)22(27)17-9-8-16(12-20(17)29-13)30-23(28)26-15-7-10-18(24)19(25)11-15/h2-12H,1H3,(H,26,28)
InChIKeyVUIWYAFOJDLFMW-UHFFFAOYSA-N
MW440.28 g/mol
LogP6.69
Rot. Bonds3

About (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate

(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate (PubChem CID 3970988) has the molecular formula C23H15Cl2NO4 and a molecular weight of 440.28 g/mol. Its IUPAC name is (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
PubChem CID3970988
Molecular FormulaC23H15Cl2NO4
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC Name(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
SMILESCc1oc2cc(OC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H15Cl2NO4/c1-13-21(14-5-3-2-4-6-14)22(27)17-9-8-16(12-20(17)29-13)30-23(28)26-15-7-10-18(24)19(25)11-15/h2-12H,1H3,(H,26,28)
InChIKeyVUIWYAFOJDLFMW-UHFFFAOYSA-N
XLogP6.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-chlorobenzoate
CID 2014694
(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 26216457
[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274423
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate
CID 4202898
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-bromobenzoate
CID 2004132
(2-methyl-4-oxo-3-phenylchromen-7-yl) 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
CID 110274110
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate (CID 3970988) is (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate is Cc1oc2cc(OC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate?
The InChIKey is VUIWYAFOJDLFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO4/c1-13-21(14-5-3-2-4-6-14)22(27)17-9-8-16(12-20(17)29-13)30-23(28)26-15-7-10-18(24)19(25)11-15/h2-12H,1H3,(H,26,28).
What are the key properties of (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate?
(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate has a molecular weight of 440.28 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3970988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).