(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate

C15H14ClNO4 — CID 3332616

IUPAC(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H14ClNO4/c1-19-11-4-6-12(7-5-11)21-15(18)17-13-9-10(16)3-8-14(13)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyOBUQIYGMXGZMAE-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.97
Rot. Bonds4

About (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate

(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate (PubChem CID 3332616) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
PubChem CID3332616
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H14ClNO4/c1-19-11-4-6-12(7-5-11)21-15(18)17-13-9-10(16)3-8-14(13)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyOBUQIYGMXGZMAE-UHFFFAOYSA-N
XLogP3.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70556220
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CID 881730
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
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N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
(4-bromophenyl) (E)-4-(5-chloro-2-methoxyanilino)-4-oxobut-2-enoate
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N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
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N-(5-chloro-2-methoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314112
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
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CID 109337413

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate (CID 3332616) is (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate is COc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate?
The InChIKey is OBUQIYGMXGZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-19-11-4-6-12(7-5-11)21-15(18)17-13-9-10(16)3-8-14(13)20-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate?
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate has a molecular weight of 307.73 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 3332616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).